474	490	742	0:SP3_SP3_SP3	C[5]	C	B[4,5]	4:3:4:4:	4:1:1:1:	3:3:3:4:	B[4,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	S[4,5]-3:C[4]-3:C[6a]-3:C[5]-4:	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2	C(C[5]B[4,5]C[5]C)(H)3	B[4,5](S[4,5]C[4]C[5])(C[4]C[6a]C[4])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2{5|C<3>}	C(C[5]B[4,5]C[5]C)(H)3	B[4,5](S[4,5]C[4]C[5])(C[4]C[6a]C[4])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<4>,2|F<1>,5|C<3>}	111.0910	0.481	2	111.0910	0.231	2	111.0910	0.231	2	111.0910	0.231	2	111.0910	0.231	2	111.0910	0.231	2
474	490	762	0:SP3_SP2_SP3	C[5,3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-3:H-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3)	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H)	C[5,3x6](C[5,6,6]C[6,6]C[5]H)(C[5,6,6]C[6,6]O[5]H)(C[6,6]C[6,6]H)(CH3){2|C<4>,2|H<1>,2|O<1>}	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]H)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	114.1590	0.000	1	111.1456	2.772	8	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,3x6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,3x6](C[5,6,6]C[5,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]O)(CH3)	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[5,3x6]HH)(O)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]C)(C[5,6,6]C[6,6]O[5]O)(C[6,6]C[6,6]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	C(C[5,3x6]C[5,6,6]2C[6,6])(H)3	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[5,3x6]HH)(O){2|O<2>,5|C<4>}	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	110.6220	0.000	1	111.1456	2.772	8	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,3x6]	C	C[6,6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,3x6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]C)(C[6,6]C[3x6]HH)(O)	C[5,3x6](C[5,3x6]C[5,6]C[6,6]C[6])(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|N<3>,1|O<1>,2|C<4>,2|O<2>,7|H<1>}	C(C[5,3x6]C[5,3x6]C[5,6,6]C[6,6])(CCHH)(H)2	C[6,6](C[5,3x6]C[5,3x6]C[5,6,6]C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	109.0940	0.129	2	109.0940	0.017	2	109.0940	0.017	2	110.7307	1.803	6	111.1456	2.772	8	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,3x6]	C	C[6,6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:C-4:	C[5,3x6]-4:C-4:H-1:H-1:	C[5,3x6]-4:C[6,6]-4:O-1:	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH)	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O)	C[5,3x6](C[5,6,6]C[6,6]C[5]C)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]O)(CCHH){1|C<4>,1|O<1>,8|H<1>}	C(C[5,3x6]C[5,6,6]2C[6,6])(CCHH)(H)2	C[6,6](C[5,3x6]C[5,6,6]2C)(C[6,6]C[3x6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	111.5490	0.566	4	111.5490	0.321	4	111.5490	0.321	4	110.7307	1.803	6	111.1456	2.772	8	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[3x6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[5,6,6]2){5|C<4>,7|C<3>}	109.9300	0.000	1	109.9300	0.000	1	109.9300	0.000	1	110.7267	0.979	3	110.7267	0.979	3	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[3x6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[3x6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	111.8340	0.000	1	111.8340	0.000	1	111.8340	0.000	1	110.7267	0.979	3	110.7267	0.979	3	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[3x6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[3x6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[6,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3)	C(C[5,6,6]C[5,6,6a]2C[3x6])(F)3	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[3x6])(F)3	C[3x6](C[5,6,6]C[5,6,6a]2C)(C[6,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	110.7267	0.979	3	110.7267	0.979	3	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[6,6]-3:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH)	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	C[6,6](C[5,6,6]C[5,6,6a]2C)(C[6]C[6]H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a])2(C[6,6]C[6]2)(CCHH){2|H<1>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[6,6])(CClHH)(H)2	C[6,6](C[5,6,6]C[5,6,6a]2C)(C[6]C[6]H)2{2|H<1>,4|C<3>}	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	104.7920	0.000	1	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	N[5,5a,6]-3:C[6,6]-3:C[5,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3)	C(C[5,6,6]N[5,5a,6]C[5,6]C[6,6])(H)3	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3){1|O<2>,2|C<4>,5|C<3>}	C(C[5,6,6]N[5,5a,6]C[5,6]C[6,6])(H)3	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	111.7650	0.000	1	112.6483	0.603	3	112.6483	0.603	3	112.6483	0.603	3	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){1|H<1>,2|C<4>,5|C<3>}	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	113.2220	0.000	1	112.6483	0.603	3	112.6483	0.603	3	112.6483	0.603	3	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3)	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(N[5,6]B[6]N[5])(CH3){2|C<4>,5|C<3>}	C(C[5,6,6]C[5,6]C[6,6]N[5,6])(H)3	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<2>,2|B<3>,3|C<3>,3|H<1>}	112.9580	0.000	1	112.6483	0.603	3	112.6483	0.603	3	112.6483	0.603	3	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[6,6]C[6,6]C[6]C)(C[5,6,6]C[5,6]2C)(C[6]C[6]H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	109.6285	0.076	2	109.6285	0.006	2	109.6285	0.006	2	109.6285	0.006	2	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:3:2:4:	4:3:1:1:	4:4:1:	C[5,3x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[4x6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]O[5]C)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[4x6]O)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5,6,6]C[5,3x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[4x6]C[3x6]C[6,6]O[6])(C[5,6,6]C[5,3x6]O[5]C)(O){2|C<3>,3|C<4>,3|H<1>}	112.7630	0.000	1	112.7630	0.000	1	112.7630	0.000	1	112.9926	0.503	10	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:3:2:4:	4:3:1:1:	4:4:1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[3x6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]O[5]C)(O)	C[5,6,6](C[5,4x6]C[3,3x6]C[5,6,6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[3x6]C[3,6,6]C[6,6]H)(C[5,6,6]C[5,4x6]O[5]C)(O){2|O<2>,3|C<4>,3|H<1>}	113.1090	1.131	2	113.1090	1.280	2	113.1090	1.280	2	112.9926	0.503	10	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:3:2:4:	4:3:1:1:	4:4:1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,2|H<1>,4|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.3095	0.128	2	113.0367	0.618	6	112.9921	0.529	7	112.9926	0.503	10	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:3:2:4:	4:3:1:1:	4:4:1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|N<3>,1|O<2>,3|C<4>,3|H<1>}	114.0670	0.000	1	113.0367	0.618	6	112.9921	0.529	7	112.9926	0.503	10	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:3:2:4:	4:3:1:1:	4:4:1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|C<3>,3|H<1>,4|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){2|O<2>,3|C<4>,3|H<1>}	113.4610	0.642	2	113.0367	0.618	6	112.9921	0.529	7	112.9926	0.503	10	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:3:2:4:	4:3:1:1:	4:4:1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){2|H<1>,3|C<3>,3|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.6120	0.000	1	113.0367	0.618	6	112.9921	0.529	7	112.9926	0.503	10	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:3:2:4:	4:3:1:1:	4:4:1:	C[5,4x6]-4:C[6,6]-3:O[5]-2:C-4:	C[5,6,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH)	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2O)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]O[6])(C[6,6]C[3x6]O)(O[5]C[5])(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[5,6,6]C[5,4x6]C[6,6]O[5])(CCH)(H)2	C[6,6](C[5,6,6]C[5,4x6]O[5]C)(C[3x6]C[6,6]2O)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.7250	0.000	1	112.7250	0.000	1	112.9921	0.529	7	112.9926	0.503	10	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(CH3)	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)3	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O)	C[5,6,6](C[5,5,3x6]C[5,3x6]C[5,6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5,6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(H)3	C[6,6](C[5,6,6]C[5,5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O){1|O<2>,4|C<4>,5|H<1>}	109.8370	0.181	3	109.8370	0.033	3	109.8370	0.033	3	109.8370	0.033	3	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6,6]-4:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[3x6]-4:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]2H)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]O)(C[6,6]C[3x6]O)(C[5]C[5]HH)(CC[5]HH){1|H<1>,2|C<3>,5|C<4>}	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5]2H)(H)2	C[6,6](C[5,6,6]C[5,3x6]C[5]C)(C[3x6]C[6,6]2C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	108.5120	0.000	1	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-3:H-1:	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[3,6,6]C)(H)	C[5,6,6](C[5,6]C[3,5,6]C[6a]H)(C[5,6]C[3,5,6]CH)(C[6,6]C[6,6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[3,6,6]C)(H){1|C<3>,3|C<4>,3|H<1>}	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[3,6]H)(C[6]C[6]CC)	C[5,6,6](C[5,6]C[3,6]C[5]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,1|O<2>,3|H<1>,5|C<4>}	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[3,6]H)(C[6]C[6]CC){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	113.1710	0.000	1	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[6]2H)(O)	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]O[6]H)(C[6,6]C[6,6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6,6]C[6]2H)(O){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	111.0270	0.163	2	111.0270	0.026	2	111.0270	0.026	2	111.0270	0.026	2	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CC)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6]2)(CH3){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	112.8585	0.036	2	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6,6]-4:C[6,6]-3:	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]2C)(C[6,6]C[6,6]O[6])	C[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]H)(C[6,6]C[6,6]2)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5,6]2C)(C[6,6]C[6,6]O[6]){1|C<3>,4|H<1>,4|O<2>,5|C<4>}	112.7250	0.000	1	112.7250	0.000	1	112.7250	0.000	1	112.8585	0.036	2	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6,6]	4:4:3:4:	4:4:4:1:	4:3:3:	C[5,6]-4:Si[5,6]-4:C[6,6]-3:C-4:	C[5,6,6]-4:C-4:C-4:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH)	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C)	C[5,6,6](C[5,6]Si[5]C[6]H)(Si[5,6]N[6]O[5]N)(C[6,6]N[5,6]C[6])(CCCH){1|H<1>,3|C<3>,3|C<4>}	C(C[5,6,6]Si[5,6]C[5,6]C[6,6])(CH3)2(H)	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C){1|Si<4>,1|N<3>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	113.2430	0.000	1	113.2430	0.000	1	113.2430	0.000	1	113.2430	0.000	1	111.6871	4.132	28	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,5,6,6]-4:C[5,6,6]-3:C[6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3)	C(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]H)(H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	108.1350	0.000	1	107.6592	3.665	9	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6,6]-4:C[5,5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3)	C(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]C)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[3x5,6]C[5,5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C(C[5,6,6]C[5,5,6,6]C[5,5,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	110.8010	0.000	1	110.8010	0.000	1	110.8010	0.000	1	107.4790	6.147	4	107.6592	3.665	9	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	106.6710	0.000	1	107.1165	0.397	2	106.3717	1.863	3	107.4790	6.147	4	107.6592	3.665	9	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	107.5620	0.000	1	107.1165	0.397	2	106.3717	1.863	3	107.4790	6.147	4	107.6592	3.665	9	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,6,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-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]S)(C[6]C[6]O)(CH3)	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	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]S)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>,5|H<1>}	C(C[5,6,6]C[5,5,6]C[5,6,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,1|O<2>,1|S<3>,2|C<3>,2|C<4>}	104.8820	0.000	1	104.8820	0.000	1	106.3717	1.863	3	107.4790	6.147	4	107.6592	3.665	9	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:2:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-3:O-2:	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]H)(OS)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]H)(OS){1|O<2>,3|C<4>,4|H<1>}	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	107.5940	0.000	1	107.6592	3.665	9	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-1:	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6,6](C[5,5,6,6]C[5,5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|Br<1>,1|O<2>,2|C<4>,5|H<1>}	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,4|H<1>}	105.2030	0.000	1	105.2030	0.000	1	106.8350	5.327	2	107.7627	5.245	3	107.6592	3.665	9	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6]-4:O-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]HH)(C[6]C[6]O)(CH3)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6]C[5,5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[6](C[5,6,6]C[5,5,6,6]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	108.4670	0.000	1	108.4670	0.000	1	106.8350	5.327	2	107.7627	5.245	3	107.6592	3.665	9	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[6,6]-4:O-1:	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]O)(CH3)	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]O[6]O)(O)	C[5,6,6](C[5,6,6]C[5,6,6]C[6]O)(C[5,6]C[5,6]C[6]H)(C[6]C[6,6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>,3|O<2>}	C(C[5,6,6]C[5,6,6]C[5,6]C[6])(H)3	C[6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6,6]C[6,6]O[6]O)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	109.6180	0.000	1	109.6180	0.000	1	109.6180	0.000	1	107.7627	5.245	3	107.6592	3.665	9	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:2:2:4:	4:1:1:1:	4:4:2:	C[6,6]-3:O[5,6]-2:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[6]-2:	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3)	C(C[5,6]C[6,6]O[5,6]O[5])(H)3	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a])	C[5,6](C[6,6]C[6,6]N[6])(O[5,6]C[5,6])(O[5]O[5])(CH3){2|C<3>,3|C<4>}	C(C[5,6]C[6,6]O[5,6]O[5])(H)3	C[6,6](C[5,6]O[5,6]O[5]C)(C[6,6]C[6a]C[6]2)(N[6]C[6,6a]){1|C<4>,2|O<2>,3|H<1>,4|C<3>}	115.4210	0.000	1	115.4210	0.000	1	115.4210	0.000	1	115.4210	0.000	1	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[6,6]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6])(C[5,6]C[6]N[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	109.6010	0.000	2	109.6010	0.000	2	109.6010	0.000	2	109.6010	0.000	2	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:2:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	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]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[6,6]O[5])(H)3	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]H){2|C<3>,4|C<4>,4|H<1>}	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	3:4:4:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[4,6,6]-3:C[5,6]-4:C[6]-4:	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[4,6,6]C[4,6,6]C[4,6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HO)	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[4,6,6]C[4,6,6]C[4,6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]HO){1|O<1>,1|O<2>,2|H<1>,7|C<4>}	106.7140	0.000	1	106.7140	0.000	1	106.7140	0.000	1	106.7140	0.000	1	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<2>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	110.4140	0.000	1	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	115.5190	0.000	1	115.5190	0.000	1	110.5335	49.710	2	110.5335	49.710	2	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){2|H<1>,2|O<1>,7|C<4>}	105.5480	0.000	1	105.5480	0.000	1	110.5335	49.710	2	110.5335	49.710	2	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|H<1>,7|C<4>}	106.0545	0.146	2	106.0545	0.021	2	106.3310	0.240	3	106.3310	0.240	3	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,4|H<1>,7|C<4>}	106.8840	0.000	1	106.8840	0.000	1	106.3310	0.240	3	106.3310	0.240	3	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|H<1>,7|C<4>}	105.5430	0.055	2	106.0013	0.304	11	105.5284	1.631	15	105.5284	1.631	15	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){6|H<1>,7|C<4>}	106.1031	0.562	9	106.0013	0.304	11	105.5284	1.631	15	105.5284	1.631	15	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HH){6|H<1>,7|C<4>}	105.4420	0.000	1	105.4420	0.000	1	105.5284	1.631	15	105.5284	1.631	15	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,4|H<1>,7|C<4>}	102.6260	0.051	2	102.6260	0.003	2	105.5284	1.631	15	105.5284	1.631	15	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)(CH3){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	106.2180	0.000	1	106.2180	0.000	1	105.5284	1.631	15	105.5284	1.631	15	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(CH3){2|O<2>,4|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){6|C<4>,8|H<1>}	106.2000	0.000	1	106.2000	0.000	1	106.5305	0.218	2	107.4359	0.631	16	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H)	C[5,6](C[6,6]C[3,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,4|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[3,6,6]C[3,6,6]C[3]C[6])(C[5,6]C[5,6]C[5]C)(C[6]C[6]H){1|C<3>,1|O<2>,5|C<4>,7|H<1>}	106.8610	0.000	1	106.8610	0.000	1	106.5305	0.218	2	107.4359	0.631	16	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	107.0510	0.000	1	107.5247	0.590	13	107.5652	0.567	14	107.4359	0.631	16	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	107.9860	0.000	1	107.5247	0.590	13	107.5652	0.567	14	107.4359	0.631	16	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,6|C<4>,6|H<1>}	106.9210	0.000	1	107.5247	0.590	13	107.5652	0.567	14	107.4359	0.631	16	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	107.6430	1.061	2	107.5247	0.590	13	107.5652	0.567	14	107.4359	0.631	16	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	107.5721	0.854	8	107.5247	0.590	13	107.5652	0.567	14	107.4359	0.631	16	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2H)(C[6]C[6]H){6|H<1>,7|C<4>}	108.0920	0.000	1	108.0920	0.000	1	107.5652	0.567	14	107.4359	0.631	16	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5,6,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]CC)(CH3)	C(C[5,6]C[5,6,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6,6]C[6,6]C[6])(C[5]C[5]CC)(CH3){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6,6]C[5]C)(C[6,6]C[6,6]O[6])(C[6]C[6]CH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	110.0560	0.000	1	110.0560	0.000	1	110.0560	0.000	1	108.9090	8.382	3	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]C[6]C)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	105.6160	0.000	1	105.6160	0.000	1	108.3355	14.791	2	108.9090	8.382	3	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	111.0550	0.000	1	111.0550	0.000	1	108.3355	14.791	2	108.9090	8.382	3	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[3,5,6]C[3,5]C[3]C[6])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){4|C<4>,8|H<1>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){6|H<1>,7|C<4>}	108.9320	0.000	1	108.9320	0.000	1	110.1160	2.804	2	110.1160	2.804	2	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[3,5,6]-4:C[6,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[5,6](C[3,5,6]C[3,5]C[6]O[3])(C[6,6]C[6,6]C[6])(C[5]C[5]HH)(CH3){5|C<4>,5|H<1>}	C(C[5,6]C[3,5,6]C[6,6]C[5])(H)3	C[6,6](C[5,6]C[3,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<2>,6|C<4>,6|H<1>}	111.3000	0.000	1	111.3000	0.000	1	110.1160	2.804	2	110.1160	2.804	2	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:3:2:	C[5,6,6]-4:C[5,6]-4:C[6,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3)	C(C[5,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6])	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]O[6])(CH3){1|O<2>,3|C<3>,5|C<4>}	C(C[5,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	111.8080	0.000	1	111.8080	0.000	1	111.8080	0.000	1	111.8080	0.000	1	107.5316	6.471	48	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	2:3:3:4:	4:1:1:1:	4:3:1:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br)	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|C<4>}	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	2:3:4:4:	4:4:4:1:	4:4:1:	O[5,6]-2:C[6]-3:C[5]-4:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH)	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O)	C[5,6](O[5,6]C[5,6])(C[6]C[5,6]O)(C[5]C[5]HH)(CCCH){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]O[5,6]C[5]C[6])(CH3)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[5,6]O[5,6]C[5]C)(O){4|H<1>,5|C<4>}	111.7240	0.000	1	111.7240	0.000	1	111.7240	0.000	1	111.7240	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	2:4:3:4:	4:2:1:1:	4:3:1:	O[5,6]-2:C[5]-4:C[6]-3:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO)	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(OSi)(H)2	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	113.4610	0.000	1	113.4610	0.000	1	113.4610	0.000	1	113.4610	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:2:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6a]O[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(O[5,6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6a]O[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]O[5,6]C)(C[6]C[6a]C[6])(H){1|C<4>,2|H<1>,4|C<3>}	113.3800	0.000	1	113.3800	0.000	1	113.3800	0.000	1	113.3800	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:2:3:4:	4:4:3:1:	4:3:1:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C-4:N-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	113.9960	0.000	1	113.6230	0.278	2	113.6230	0.278	2	113.6230	0.278	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:2:3:4:	4:4:3:1:	4:3:1:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C-4:N-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){3|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	113.2500	0.000	1	113.6230	0.278	2	113.6230	0.278	2	113.6230	0.278	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O){4|C<3>}	108.6195	0.056	2	108.6195	0.003	2	108.6195	0.003	2	108.6195	0.003	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:2:4:	4:4:4:4:	4:3:1:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3)	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>}	112.9910	0.000	1	112.9910	0.000	1	112.9910	0.000	1	112.9910	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:2:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3)	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6]C)(O[6]C[6])(O)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]O[6]O)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6]C)(O[6]C[6])(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	112.1810	0.000	1	112.1810	0.000	1	112.1810	0.000	1	112.1810	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<3>}	110.7810	0.000	1	110.7810	0.000	1	108.4875	10.520	2	106.7442	6.521	8	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|N<2>}	106.1940	0.000	1	106.1940	0.000	1	108.4875	10.520	2	106.7442	6.521	8	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,3|C<3>}	105.2756	0.920	5	105.2756	0.847	5	105.2756	0.847	5	106.7442	6.521	8	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:N[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C(C[5,6]C[5,6a]N[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]N[5,6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|S<4>,2|C<3>}	110.6010	0.000	1	110.6010	0.000	1	110.6010	0.000	1	106.7442	6.521	8	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(COO){1|C<4>,1|P<4>,2|C<3>,2|H<1>}	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	107.6190	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:2:1:1:	4:3:1:	N[5,6]-3:C[6]-3:N[5]-3:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO)	C(C[5,6]N[5,6]C[6]N[5])(OH)(H)2	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO){1|C<4>,2|O<1>,3|H<1>}	C(C[5,6]N[5,6]C[6]N[5])(OH)(H)2	C[6](C[5,6]N[5,6]N[5]C)(N[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	108.7020	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|Br<1>,1|C<4>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	104.4465	1.012	2	105.5270	1.964	4	105.5270	1.964	4	105.5270	1.964	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	106.6075	0.446	2	105.5270	1.964	4	105.5270	1.964	4	105.5270	1.964	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:4:1:1:	3:4:1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:Si-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[6](C[6,6a]C[5,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	109.5740	0.000	1	109.5740	0.000	1	109.6715	0.019	2	109.6715	0.019	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:4:1:1:	3:4:1:	C[5,6,6a]-3:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:Si-4:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH)	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O)	C[5,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6a]C[5,6a,6a]C[5,6a])(C[6]C[6,6a]O)(CSiHH){1|C<4>,6|C<3>}	C(C[5,6]C[5,6,6a]C[5,6a]C[6])(SiC[6a]CC)(H)2	C[6](C[6,6a]C[5a,6,6a]C[6a,6a])(C[5,6]C[5,6,6a]C[5,6a]C)(O){7|C<3>}	109.7690	0.000	1	109.7690	0.000	1	109.6715	0.019	2	109.6715	0.019	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	106.7190	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:3:4:4:	4:1:1:1:	4:3:1:	N[5,6]-3:C[6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6,6]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[6](C[5,6]N[5,6]C[5]C)(N[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	108.8830	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	3:4:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]C)(O){3|H<1>,5|C<3>}	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	106.7660	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:2:1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](N[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|S<4>,2|C<4>,2|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[6](C[5,6]N[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,2|C<4>,4|H<1>}	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	109.3190	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,3|C<3>}	105.4615	0.384	2	105.4615	0.147	2	107.2042	1.365	9	107.3931	1.570	10	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	107.6940	0.000	1	108.2547	0.270	3	107.2042	1.365	9	107.3931	1.570	10	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	108.3490	0.000	1	108.2547	0.270	3	107.2042	1.365	9	107.3931	1.570	10	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,5|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	108.7210	0.000	1	108.2547	0.270	3	107.2042	1.365	9	107.3931	1.570	10	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|F<1>,1|S<4>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	106.9480	0.294	2	107.0510	0.075	3	107.2042	1.365	9	107.3931	1.570	10	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){1|C<4>,2|H<1>,3|C<3>}	107.2570	0.000	1	107.0510	0.075	3	107.2042	1.365	9	107.3931	1.570	10	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3){1|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|S<2>,2|H<1>,3|C<3>}	107.9980	0.000	1	107.9980	0.000	1	107.2042	1.365	9	107.3931	1.570	10	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5]C)(C[6]C[6]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6a]H)(H){1|C<4>,1|N<3>,4|C<3>}	109.0930	0.000	1	109.0930	0.000	1	109.0930	0.000	1	107.3931	1.570	10	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|H<1>,5|C<3>}	112.2190	0.000	1	112.2190	0.000	1	112.2190	0.000	1	111.8350	0.295	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:C-3:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|C<3>,4|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(H)3	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.4510	0.000	1	111.4510	0.000	1	111.4510	0.000	1	111.8350	0.295	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	115.1110	0.000	1	115.1110	0.000	1	108.2250	21.123	4	108.2250	21.123	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	105.6270	0.000	1	105.6270	0.000	1	108.2250	21.123	4	108.2250	21.123	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	106.0810	0.099	2	106.0810	0.010	2	108.2250	21.123	4	108.2250	21.123	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:2:2:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:N[6]-2:O-2:	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH)	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(OC)	C[5,6](N[5,6]C[5]C[6])(C[5]C[6]O[5]H)(C[6]N[6]O)(CCHH){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6])(OC){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	109.1175	1.039	2	109.1175	1.079	2	109.1175	1.079	2	109.1175	1.079	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]O[5]H)(C[6]C[6]H)(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	112.1130	0.000	1	112.1130	0.000	1	112.1130	0.000	1	109.1523	7.402	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O){1|C<3>,1|S<2>,2|H<1>,3|C<4>}	108.5820	0.000	1	107.6720	1.656	2	107.6720	1.656	2	109.1523	7.402	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:3:1:1:	4:3:1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	106.7620	0.000	1	107.6720	1.656	2	107.6720	1.656	2	109.1523	7.402	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5]H)(C[6]C[6]H)(CCHH){2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	109.9430	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:3:3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:N[6]-3:C-3:	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH)	C(C[5,6]N[5,6]C[5]C[6])(CH3)(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH){1|C<3>,4|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(CH3)(H)2	C[6](C[5,6]N[5,6]C[5]C)(N[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	112.1550	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH){1|C<3>,1|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O){1|O<1>,2|C<4>,4|H<1>}	108.0980	0.000	1	108.0980	0.000	1	108.0980	0.000	1	108.8115	1.018	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:4:1:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CC)(O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|O<1>,3|H<1>,4|C<4>}	C(C[5,6]N[5,6]C[5]C[6])(CCCH)(H)2	C[6](C[5,6]N[5,6]C[5]C)(C[6]C[6]CC)(O){1|C<3>,2|C<4>,4|H<1>}	109.5250	0.000	1	109.5250	0.000	1	109.5250	0.000	1	108.8115	1.018	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	3:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH){2|C<3>,2|C<4>,3|H<1>}	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	106.3770	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(O[5]C[5,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	112.0010	0.000	1	112.0010	0.000	1	111.4783	1.816	4	111.4783	1.816	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6a]C[6]H)(O[5]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	111.7980	1.902	2	111.7980	3.618	2	111.4783	1.816	4	111.4783	1.816	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]N[5,5]C[6]H)(O[5]C[5,5])(C[6]C[6]H)(CH3){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	110.3160	0.000	1	110.3160	0.000	1	111.4783	1.816	4	111.4783	1.816	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:2:3:4:	4:4:4:4:	4:3:1:	C[5,6]-4:O[5]-2:C[6]-3:C-4:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3)	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[5,3x6]C[6]H)(O[5]C[5,3x6])(C[6]C[6]H)(CC3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<4>}	111.7090	0.000	1	111.7090	0.000	1	111.7090	0.000	1	111.7090	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	3:4:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6]O[5]C)(H){2|C<3>,7|C<4>}	110.1880	0.000	1	110.1880	0.000	1	110.1880	0.000	1	110.7400	0.609	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	3:4:1:	C[5]-4:C[6]-3:O[5,6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|O<2>,3|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O){1|H<1>,2|C<4>,3|C<3>}	111.2920	0.000	1	111.2920	0.000	1	111.2920	0.000	1	110.7400	0.609	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[6]C[6]H)(O[5]C[5])(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[5,6]H)(H){1|C<3>,5|C<4>}	109.0150	0.000	1	109.0150	0.000	1	111.2083	7.922	3	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	110.2280	0.000	1	110.2280	0.000	1	111.2083	7.922	3	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3)	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H)	C[5,6](C[5,5,6]C[5,6]O[5]2)(C[6]C[6]H)(O[5]N[5])(CH3){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[5,6]C[5,5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]N)(H){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	114.3820	0.000	1	114.3820	0.000	1	111.2083	7.922	3	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[6]-3:O[5,6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C(C[5,6]C[5,5]O[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5,6](C[5,5]C[5,5]N[5]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[5,6]C[5,5]O[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	110.5500	0.093	2	110.5500	0.009	2	110.5500	0.009	2	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.4760	0.000	1	111.3130	0.053	2	111.3130	0.053	2	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[5,6]C[5,6,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	111.1500	0.000	1	111.3130	0.053	2	111.3130	0.053	2	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5,6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3)	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[5a,6]O)(O[5,6]C[5,6])(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]O[5,6]C[6])(H)3	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,2|C<4>,3|C<3>}	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3)	C(C[5,6]C[5,6]C[6]O[5])(F)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(F)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.9840	0.000	1	109.9840	0.000	1	109.9840	0.000	1	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Br<1>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.9680	0.624	2	110.7215	0.629	21	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.6612	0.397	4	110.7215	0.629	21	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	110.1430	0.000	1	110.7215	0.629	21	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	111.8075	0.230	2	110.7215	0.629	21	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|Cl<1>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.8654	0.614	5	110.7215	0.629	21	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.5540	0.000	1	110.7215	0.629	21	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	111.4400	0.000	1	110.7215	0.629	21	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.1800	0.391	4	110.7215	0.629	21	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|O<2>,2|H<1>,3|C<4>}	109.7710	0.000	1	110.7215	0.629	21	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.3070	0.000	1	111.3070	0.000	1	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	111.6660	0.000	1	111.8510	0.068	2	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]H)(O[5]C[5])(CH3){2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	112.0360	0.000	1	111.8510	0.068	2	110.8400	0.661	24	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[6]N[5]C)(C[6]C[6]O)(O[5]C[5])(CH3){1|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(O){1|C<3>,1|N<2>,3|C<4>}	110.6120	0.000	1	110.6120	0.000	1	110.6120	0.000	1	110.8930	1.055	34	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:2:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.9400	0.000	1	110.9400	0.000	1	112.3660	1.666	3	112.3660	1.666	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:2:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	113.0790	0.532	2	113.0790	0.283	2	112.3660	1.666	3	112.3660	1.666	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[6]N[5]O)(C[6]C[6]C)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:2:1:1:	4:2:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:N[6]-2:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|H<1>,1|O<2>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6])(O){1|O<2>,2|C<4>,3|H<1>}	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	110.4120	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:2:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|C<4>,3|H<1>}	107.5420	0.000	1	109.0613	2.365	3	109.0613	2.365	3	109.0613	2.365	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:2:1:1:	4:3:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]N[6]O)(O[5]C[5])(CHHO){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OH)(H)2	C[6](C[5,6]C[5,6]O[5]C)(N[6]C[6]H)(O){1|O<2>,2|H<1>,3|C<4>}	109.8210	1.126	2	109.0613	2.365	3	109.0613	2.365	3	109.0613	2.365	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:2:1:1:	4:3:3:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO)	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]C)(O[5]C[5])(CHHO){2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(OSi)(H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(CCO){1|O<2>,2|C<4>,3|H<1>}	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	111.4210	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[5,6,6]O)(O[5]C[5])(CCHH){1|O<2>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)2	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[5]C)(O){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	112.1650	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:2:4:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH)	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]H)(O[5]C[5])(CCCH){1|Br<1>,1|H<1>,1|O<1>,2|C<3>}	C(C[5,6]C[3,5,6]C[6]O[5])(CH3)2(H)	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	112.7130	0.000	1	112.7130	0.000	1	112.7130	0.000	1	112.7130	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	109.6865	0.593	2	109.6865	0.352	2	109.6865	0.352	2	109.6865	0.352	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	3:4:2:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C-2:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[5]C)(CC){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	110.4375	0.025	2	110.4375	0.001	2	110.4375	0.001	2	110.4375	0.001	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[3x5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3)	C(C[5,6]C[3x5,6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3x5,6]C[5,6]C)(C[6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C(C[5,6]C[3x5,6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3x5,6]C[5,6]C)(C[6]C[5,6]H)(H){1|O<1>,1|O<2>,5|C<4>}	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,5,6,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C(C[5,6]C[5,5,6,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(C[5,6]C[5,5,6,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C(C[5,6]C[5,5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	108.6200	0.000	1	108.6200	0.000	1	108.6200	0.000	1	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]C)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]C)(O){1|C<3>,1|D<1>,1|H<1>,3|C<4>}	111.5470	0.000	1	111.5470	0.000	1	111.5470	0.000	1	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3)	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]N[5,6]C)(N[6]C[6]C)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[5,6]C[5,5]N[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]N[5,6]C)(N[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	106.7650	0.000	1	106.7650	0.000	1	106.7650	0.000	1	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	107.6710	0.000	1	107.6710	0.000	1	107.6710	0.000	1	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:O-1:	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(C[5,6]C[5,6,6]C[5])(O){1|O<1>,1|O<2>,2|C<3>,5|C<4>}	110.2430	0.000	1	110.2430	0.000	1	110.2430	0.000	1	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(O)	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(O){1|C<3>,5|C<4>}	105.8950	0.000	1	105.8950	0.000	1	105.8950	0.000	1	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<3>,1|N<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|S<4>,2|H<1>,3|C<3>}	109.9870	0.000	1	109.4103	2.845	7	109.4103	2.845	7	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	112.2990	0.000	1	109.4103	2.845	7	109.4103	2.845	7	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	110.6480	0.000	1	109.4103	2.845	7	109.4103	2.845	7	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,6|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	108.2345	0.666	4	109.4103	2.845	7	109.4103	2.845	7	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3){2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]H)(O){1|O<1>,2|C<4>,3|H<1>}	111.0870	0.000	1	111.0870	0.000	1	111.0375	0.005	2	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3)	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3){3|C<4>}	C(C[5,6]C[5,6]C[6]N[5])(H)3	C[6](C[5,6]C[5,6]N[5]C)(N[6]C[6]C)(O){1|O<2>,2|C<4>,4|H<1>}	110.9880	0.000	1	110.9880	0.000	1	111.0375	0.005	2	109.3353	3.727	17	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	110.1140	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	107.8600	0.000	1	107.8600	0.000	1	107.8600	0.000	1	110.7600	4.493	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	111.9860	1.365	2	111.7267	1.133	3	111.7267	1.133	3	110.7600	4.493	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	111.2080	0.000	1	111.7267	1.133	3	111.7267	1.133	3	110.7600	4.493	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){3|H<1>,4|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	108.2604	3.612	5	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){1|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CH)(O){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	106.7670	0.000	2	106.7670	0.000	2	106.7670	0.000	2	108.2604	3.612	5	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){2|C<3>,2|H<1>,4|C<4>}	110.1570	0.000	1	110.3325	0.062	2	110.3325	0.062	2	108.2604	3.612	5	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5,6]O[5]H)(O){1|C<3>,2|H<1>,5|C<4>}	110.5080	0.000	1	110.3325	0.062	2	110.3325	0.062	2	108.2604	3.612	5	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:3:1:1:	4:3:1:	C[5,6,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,6,6]C[5,6a]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6,6]C[5,6a]C)(C[6]C[6]H)(O)	C[5,6](C[5,6,6]C[6,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]O)(CCHH){2|H<1>,2|O<2>,4|C<3>}	C(C[5,6]C[5,6,6]C[5,6a]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6,6]C[5,6a]C)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	106.6870	0.000	1	106.6870	0.000	1	106.6870	0.000	1	106.6870	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:3:2:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CHH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	113.7490	1.117	2	113.7490	1.248	2	113.7490	1.248	2	113.7490	1.248	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH){1|C<3>,2|O<2>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,4|C<4>}	106.6370	0.174	2	106.6370	0.030	2	106.6370	0.030	2	107.3327	1.467	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH)	C(C[5,6]C[5,6]C[6]N[5])(CH3)(H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH){2|C<3>,6|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(CH3)(H)2	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	108.7240	0.000	1	108.7240	0.000	1	108.7240	0.000	1	107.3327	1.467	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	C[6](C[5,6]C[5,6]2C)(C[6]C[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	104.9550	0.000	1	104.9550	0.000	1	104.9550	0.000	1	104.9550	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:3:4:	4:4:4:3:	4:3:1:	C[5,5,6]-4:C[5,6a]-3:C[6]-3:C-4:	C[5,6]-4:C-4:C-4:C-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3)	C(C[5,6]C[5,5,6]C[5,6a]C[6])(CH3)2(CCH)	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]O)(H)	C[5,6](C[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]H)(CC3){2|H<1>,2|O<2>,5|C<3>}	C(C[5,6]C[5,5,6]C[5,6a]C[6])(CH3)2(CCH)	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|N<3>}	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	111.3290	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[3,6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[3,6]C[3,6]O[3]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[3,6]O)(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,7|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[3,6]C[3,6]O[3]H)(O){3|H<1>,4|C<4>}	104.5180	0.346	2	104.5180	0.120	2	104.5180	0.120	2	104.5180	0.120	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,5,6]-4:C[6]-3:C[5]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]O)(C[5]C[5]HH)(CCHH)	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6,6]O)(C[5]C[5]HH)(CCHH){4|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(O){1|C<3>,1|N<3>,3|C<4>,6|H<1>}	108.9490	0.000	2	108.9490	0.000	2	108.9490	0.000	2	108.9490	0.000	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6,6])(O)	C[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]O[6]O)(CH3){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(O[6]C[6,6])(O){4|C<4>,4|H<1>}	109.4000	0.000	1	109.4000	0.000	1	109.4000	0.000	1	108.9310	1.320	7	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]CC)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<1>,2|H<1>,4|C<4>}	109.7790	0.277	3	109.7790	0.077	3	108.8528	1.532	6	108.9310	1.320	7	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]O[6]O)(CH3){1|C<4>,1|O<2>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,2|H<1>,5|C<4>}	108.5375	0.351	2	108.5375	0.124	2	108.8528	1.532	6	108.9310	1.320	7	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]O[6]O)(CH3){2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){2|C<3>,2|H<1>,3|C<4>}	106.7050	0.000	1	106.7050	0.000	1	108.8528	1.532	6	108.9310	1.320	7	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3)	C(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(CH3){2|H<1>,2|O<1>,4|C<3>}	C(C[5,6]C[3,5,6]C[5,6]C[6])(H)3	C[6](C[5,6]C[3,5,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<4>,2|H<1>,4|C<3>}	108.5920	0.000	1	108.5920	0.000	1	108.5920	0.000	1	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6a]-3:O-1:	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O)	C[5,6](C[3,5,6]C[3,5,6]C[6]O[3])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[3,5,6]C[5]C)(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	109.1880	0.000	1	109.1880	0.000	1	109.1880	0.000	1	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|S<4>,2|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[3,5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,2|C<4>,5|H<1>}	110.4790	0.393	2	110.4790	0.155	2	110.4790	0.155	2	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3)	C(C[5,6]C[3x5,6]C[5]C[6])(H)3	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]H)(H)	C[5,6](C[3x5,6]C[3x5,6]C[5]O[5])(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|O<1>,3|C<4>}	C(C[5,6]C[3x5,6]C[5]C[6])(H)3	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	113.7250	0.000	1	113.7250	0.000	1	113.7250	0.000	1	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5,6]C[5,6,6a]C[5]2)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6a]H)(H)	C[5,6](C[5,5,6]C[5,6,6a]C[5]2)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6,6a]H)(H){3|C<3>,4|C<4>}	107.2015	0.715	2	107.2015	0.511	2	107.2015	0.511	2	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,7|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	106.0280	0.525	2	106.0280	0.275	2	106.0280	0.275	2	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)	C[5,6](C[5,5]C[5,5]2H)(C[5,6]C[5,6]CH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	109.8220	0.315	2	109.8220	0.099	2	109.8220	0.099	2	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|C<3>,2|O<2>,3|C<4>,5|H<1>}	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	106.0130	0.000	1	106.0130	0.000	1	108.9737	6.602	3	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(O)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	110.4540	0.238	2	110.4540	0.056	2	108.9737	6.602	3	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6,6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]C)(O)	C[5,6](C[5,6,6]C[5,6,6]O[5,6]O)(C[5,6]C[5,6,6]C[6,6]H)(C[6]C[6]O)(CH3){1|O<2>,3|C<3>,4|C<4>}	C(C[5,6]C[5,6,6]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]C)(O){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	110.1690	0.000	1	110.1690	0.000	1	110.1690	0.000	1	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3: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]H)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	109.8250	0.754	2	109.8250	0.568	2	109.8250	0.568	2	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CH)(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	109.7880	0.000	1	109.7880	0.000	1	109.7662	0.519	9	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){2|C<3>,3|C<4>,3|H<1>}	110.0130	0.000	1	110.0130	0.000	1	109.7662	0.519	9	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	108.8840	0.000	1	108.8840	0.000	1	109.7662	0.519	9	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]O[6]H)(C[5]C[5]HH)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	111.1440	0.000	1	111.1440	0.000	1	109.7662	0.519	9	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CC)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	109.7150	0.000	1	109.7150	0.000	1	109.7662	0.519	9	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]O[5]N)(C[5]C[6a]C[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	108.7300	0.000	1	108.7300	0.000	1	109.7662	0.519	9	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HO)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|O<2>,1|S<3>,2|C<4>,4|H<1>}	109.8740	0.390	3	109.8740	0.152	3	109.7662	0.519	9	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O){2|H<1>,5|C<4>}	108.0960	0.000	1	108.0960	0.000	1	108.0960	0.000	1	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]HH)(C[6]N[6]O)(CH3){1|C<4>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|C<4>,2|H<1>,4|C<3>}	109.4405	0.104	2	109.4405	0.011	2	108.8868	0.814	4	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O)	C[5,6](C[5,6]C[6,6a]C[5]N)(C[5]N[5]HH)(C[6]N[6]O)(CH3){1|S<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]S)(O){2|H<1>,2|N<2>,3|C<3>}	109.1090	0.000	1	109.1090	0.000	1	108.8868	0.814	4	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	107.5570	0.000	1	107.5570	0.000	1	108.8868	0.814	4	109.2531	2.690	31	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[6]-3:C-3:	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH)	C[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|O<1>,1|S<4>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6,6]C[5]C)(N[6]C[6]S)(CCH){1|C<3>,3|H<1>,4|C<4>}	107.1860	0.000	1	107.1860	0.000	1	107.1860	0.000	1	108.7312	0.970	5	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){2|C<4>,2|H<1>,2|O<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	108.6530	0.180	2	108.6530	0.032	2	109.1175	0.299	4	108.7312	0.970	5	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C-3:	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCO)	C[5,6](C[5,6]C[6]N[5]H)(C[5]C[5]CH)(C[6]C[6]C)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCO){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	109.5820	0.044	2	109.5820	0.002	2	109.1175	0.299	4	108.7312	0.970	5	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	109.7870	0.000	1	107.3810	11.578	2	107.3810	11.578	2	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O){3|H<1>,5|C<4>}	104.9750	0.000	1	107.3810	11.578	2	107.3810	11.578	2	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>,7|H<1>}	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	108.6130	0.000	1	108.6130	0.000	1	109.4415	1.373	2	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5,5]O[5]C)(C[5,6]C[5,6]CH)(C[6]C[6]O)(CH3){1|Br<1>,2|H<1>,4|C<4>}	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	110.2700	0.000	1	110.2700	0.000	1	109.4415	1.373	2	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]CH)(C[5]C[5]CO)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	111.1545	0.127	2	111.1545	0.016	2	109.6244	6.674	16	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6]C[6]O)(C[5]C[5,6]HH)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	103.3790	0.000	1	103.3790	0.000	1	109.6244	6.674	16	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]HH)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	106.1940	0.000	1	106.1940	0.000	1	109.6244	6.674	16	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CH3){1|O<1>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	110.8445	0.636	2	110.8445	0.404	2	109.6244	6.674	16	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]HH)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]CC)(O){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	108.5910	0.000	1	108.5910	0.000	1	109.6244	6.674	16	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,5|C<4>}	111.4900	0.000	1	111.4900	0.000	1	109.6244	6.674	16	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	111.9840	0.000	1	111.1043	1.529	6	109.6244	6.674	16	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]CH)(C[6]C[6]O)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HH)(O){3|H<1>,5|C<4>}	110.9284	1.296	5	111.1043	1.529	6	109.6244	6.674	16	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[5]C[6a]C[5]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]HO)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	106.8565	0.774	2	106.8565	0.600	2	109.6244	6.674	16	109.3818	6.422	20	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:2:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:N-2:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(NO)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[6,6]C[5]H)(C[6]C[6]N)(CH3){1|O<2>,4|C<4>,7|H<1>}	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]HH)(NO){3|H<1>,5|C<4>}	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]C[6])(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]C[6])(H){1|C<3>,3|H<1>,6|C<4>}	108.9430	0.000	1	108.9430	0.000	1	106.2545	14.456	2	105.7297	5.588	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)(CHHO){1|C<3>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	103.5660	0.000	1	103.5660	0.000	1	106.2545	14.456	2	105.7297	5.588	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:2:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:N[6]-3:O-1:	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(N[6]C[6,6a]H)(O){2|C<3>,2|C<4>,3|H<1>}	105.2050	1.099	2	105.2050	1.207	2	105.2050	1.207	2	105.7297	5.588	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CCO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O)	C[5,6](C[5,6]C[5,6]CO)(C[5]C[5]HH)(C[6]O[6]O)(CCHH){1|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6])(O){1|O<2>,3|C<4>,4|H<1>}	111.2270	0.000	1	111.2270	0.000	1	109.0693	4.024	3	109.0693	4.024	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:O[6]-2:O-1:	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5,5]C[6a]H)(C[6]O[6]O)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[6](C[5,6]C[5,6]C[5]C)(O[6]C[6,6a])(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	107.9905	1.032	2	107.9905	1.064	2	109.0693	4.024	3	109.0693	4.024	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O){2|H<1>,2|O<2>,3|C<4>}	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CO)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	108.8520	0.000	1	108.8520	0.000	1	108.8520	0.000	1	109.6163	0.335	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|C<4>,4|H<1>}	109.9740	0.000	1	109.9740	0.000	1	109.8710	0.113	3	109.6163	0.335	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CC[6a]HH){1|C<4>,1|O<1>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	109.8195	0.457	2	109.8195	0.209	2	109.8710	0.113	3	109.6163	0.335	4	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3x5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	C(C[5,6]C[3x5,6]C[5]C[6])(CC[6]HH)(H)2	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]C)(O)	C[5,6](C[3x5,6]C[3x5,6]C[5,5]C[5])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C(C[5,6]C[3x5,6]C[5]C[6])(CC[6]HH)(H)2	C[6](C[5,6]C[3x5,6]C[5]C)(C[6]C[5,6]C)(O){1|O<2>,2|H<1>,4|C<4>}	105.7540	0.000	1	105.7540	0.000	1	105.7540	0.000	1	105.7540	0.000	1	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]HH)(O){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	107.2180	0.000	2	107.2180	0.000	2	107.2180	0.000	2	107.8613	0.424	6	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH){1|O<1>,3|C<4>,8|H<1>}	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	108.8410	0.000	1	108.2525	0.693	2	108.2525	0.693	2	107.8613	0.424	6	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O)	C[5,6](C[5,5]C[5]2O[5])(C[5,6]C[5]C[6]H)(C[6]C[6]O)(CCHH){1|O<1>,3|C<4>,8|H<1>}	C(C[5,6]C[5,5]C[5,6]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	107.6640	0.000	1	108.2525	0.693	2	108.2525	0.693	2	107.8613	0.424	6	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)(CCHH){1|C<4>,1|O<1>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(O){1|C<3>,3|H<1>,4|C<4>}	108.1135	0.405	2	108.1135	0.164	2	108.1135	0.164	2	107.8613	0.424	6	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)	C[5,6](C[5,6]C[5,6]HH)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){2|C<4>,2|H<1>,2|O<2>}	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C){2|C<4>,6|H<1>}	117.8540	0.840	2	117.8540	0.706	2	118.0387	0.455	3	118.0387	0.455	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C-3:	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C)	C[5,6](C[5,6]C[5,6]HO)(C[5]C[5]HH)(C[6]C[6]C)(CCHH){1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(CC[5]C){1|O<2>,2|C<4>,5|H<1>}	118.4080	0.000	1	118.4080	0.000	1	118.0387	0.455	3	118.0387	0.455	3	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5,6]	C	C[6]	4:4:3:4:	4:4:3:1:	4:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:C-3:H-1:	C[5,6]-4:C[6]-4:O-1:	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CCCH)	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(COO)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CH)(O)	C[5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)(CCCH){1|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(CH3)(COO)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[5,6]CH)(O){1|C<3>,3|C<4>,4|H<1>}	110.1925	0.289	2	110.1925	0.084	2	110.1925	0.084	2	110.1925	0.084	2	109.4863	6.376	239	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:C[5]-4:	C[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	C(C[5]C[6,6]C[5]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C)	C[5](C[6,6]C[3x6]C[6,6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C(C[5]C[6,6]C[5]2)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[5]C[5]2C){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.3200	0.000	1	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5]	C	C[6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6]-3:N[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3)	C(C[5]C[5]C[6]N[5])(H)3	C[6](C[5]C[5]N[5]C)(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]C[6]N[5])(H)3	C[6](C[5]C[5]N[5]C)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	110.3655	0.368	2	110.3655	0.136	2	110.3655	0.136	2	110.3655	0.136	2	111.2314	0.735	7	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5]	C	C[6]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH)	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<2>,2|O<1>,4|C<3>}	111.6033	0.355	3	111.6033	0.126	3	111.6033	0.126	3	111.6033	0.126	3	111.2314	0.735	7	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5]	C	C[6]	3:3:3:4:	4:4:4:4:	4:3:3:	C[5,6a]-3:C[6]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:N[6]-3:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)(CC3)	C(C[5]C[5,6a]C[5]C[6])(CH3)3	C[6](C[5]C[5,6a]C[5]C)(N[6]C[6]Pt)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]N[6])(C[5]C[5]Pt)(CC3){2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]C[6])(CH3)3	C[6](C[5]C[5,6a]C[5]C)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	112.5180	0.000	1	112.5180	0.000	1	112.5180	0.000	1	112.5180	0.000	1	111.2314	0.735	7	109.4291	6.971	343
474	490	762	0:SP3_SP2_SP3	C[5]	C	C[6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[6]-3:C[5]-4:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[3x6]-4:C[5]-4:C[6]-3:	C[5](C[6]C[3x6]C[6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3)	C(C[5]C[5]2C[6])(H)3	C[6](C[3x6]C[3x6]2H)(C[5]C[5]2C)(C[6]C[6]H)	C[5](C[6]C[3x6]C[6])(C[5]C[5]CC)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,6|H<1>}	C(C[5]C[5]2C[6])(H)3	C[6](C[3x6]C[3x6]2H)(C[5]C[5]2C)(C[6]C[6]H){1|O<1>,2|C<3>,4|H<1>,6|C<4>}	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	110.5610	0.000	1	111.2314	0.735	7	109.4291	6.971	343
474	490	770	0:SP3_SP2_SP3	C[5]	C	B	3:3:3:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:Cl-1:	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3)	C(C[5]C[5]2B)(H)3	B(C[5]C[5]2C)2(Cl)	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3){2|C<4>}	C(C[5]C[5]2B)(H)3	B(C[5]C[5]2C)2(Cl)	114.3405	0.240	2	114.3405	0.057	2	114.3405	0.057	2	114.3405	0.057	2	116.3298	13.738	6	116.3298	13.738	6
474	490	770	0:SP3_SP2_SP3	C[5]	C	B	3:3:3:4:	4:1:1:1:	4:4:4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5](C[5]C[5]C)2(BC[5]C)(CH3)	C(C[5]C[5]2B)(H)3	B(C[5]C[5]2C)2(CH3)	C[5](C[5]C[5]C)2(BC[5]C)(CH3){2|C<4>}	C(C[5]C[5]2B)(H)3	B(C[5]C[5]2C)2(CH3)	117.3245	4.350	4	117.3245	18.920	4	117.3245	18.920	4	117.3245	18.920	4	116.3298	13.738	6	116.3298	13.738	6
474	490	778	0:SP3_SP3_SPD5	C[5]	C	C[3,3,6]	5:3:4:4:	4:1:1:1:	3:3:4:2:2:	C[3,3,6]-5:N[5]-3:C[5]-4:C-4:	C[5]-4:F-1:F-1:F-1:	O[3,3]-3:O[3,6]-3:C[5]-4:O[3]-2:O[6]-2:	C[5](C[3,3,6]O[3,3]O[3,6]O[3]O[6])(N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)	C(C[5]C[3,3,6]C[5]N[5])(F)3	C[3,3,6](O[3,3]O[3,6]O[3])(O[3,6]O[3,3]C[6])(C[5]C[5]N[5]C)(O[3]O[3,3])(O[6]C[6])	C[5](C[3,3,6]O[3,3]O[3,6]O[3]O[6])(N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	C(C[5]C[3,3,6]C[5]N[5])(F)3	C[3,3,6](O[3,3]O[3,6]O[3])(O[3,6]O[3,3]C[6])(C[5]C[5]N[5]C)(O[3]O[3,3])(O[6]C[6]){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	109.6620	0.000	2	109.6620	0.000	2	109.6620	0.000	2	109.6620	0.000	2	109.6620	0.000	2	109.6620	0.000	2
474	490	786	0:SP3_SP3_SP3	C[5,5]	C	B[5,5,6]	4:4:4:1:	4:1:1:1:	4:3:3:3:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[5,6]-3:C[6a]-3:	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2)	C[5,5](B[5,5,6]C[5,6]2C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){2|H<1>,6|C<3>}	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]H)2(C[6a]C[6a]2){2|F<1>,5|C<3>}	116.5495	0.138	2	116.5495	0.019	2	116.5495	0.019	2	116.5495	0.019	2	115.7966	0.663	5	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5,5]	C	B[5,5,6]	4:4:4:1:	4:1:1:1:	4:4:2:3:	B[5,5,6]-4:P[5,5,6]-4:C-4:H-1:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O[5,6]-2:C[6a]-3:	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H)	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,5](B[5,5,6]C[5,6]O[5,6]C[6a])(P[5,5,6]C[5,6]2C[6a])(CH3)(H){5|C<3>,5|H<1>}	C(C[5,5]B[5,5,6]P[5,5,6]H)(H)3	B[5,5,6](C[5,5]P[5,5,6]CH)(C[5,6]C[5,6]HH)(O[5,6]C[5,6])(C[6a]C[6a]2){2|F<1>,3|H<1>,4|C<3>}	115.2947	0.610	3	115.2947	0.373	3	115.2947	0.373	3	115.2947	0.373	3	115.7966	0.663	5	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5,6]	C	B[5,6]	4:4:4:1:	4:1:1:1:	4:4:3:4:	B[5,6]-4:P[5,6]-4:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	P[5,6]-4:C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H)	C(C[5,6]B[5,6]P[5,6]H)(H)3	B[5,6](P[5,6]C[5,6]C[6a]C[5])(C[5,6]P[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](B[5,6]P[5,6]C[6a]C[5])(P[5,6]B[5,6]C[6a]C[5])(CH3)(H){3|C<4>,4|H<1>,6|C<3>}	C(C[5,6]B[5,6]P[5,6]H)(H)3	B[5,6](P[5,6]C[5,6]C[6a]C[5])(C[5,6]P[5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,2|C<4>,2|F<1>,5|C<3>,5|H<1>}	110.0225	2.329	2	110.0225	5.422	2	110.0225	5.422	2	110.0225	5.422	2	110.0225	5.422	2	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5,5]	4:2:4:1:	4:4:1:1:	4:2:2:2:	B[5,5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H)	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	B[5,5](C[5]O[5]CH)(O[5]C[5])3	C[5](B[5,5]O[5]3)(O[5]C[5])(CCHH)(H){1|N<3>,2|C<4>}	C(C[5]B[5,5]O[5]H)(CC[6a]HH)(H)2	B[5,5](C[5]O[5]CH)(O[5]C[5])3{1|N<3>,4|C<4>}	117.6200	0.659	2	117.6200	0.434	2	117.6200	0.434	2	117.6200	0.434	2	115.9320	3.945	4	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5,5]	4:3:4:1:	4:3:1:1:	4:2:2:2:	B[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O[5]-2:O[5]-2:	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H)	C(C[5]B[5,5]N[5]H)(COO)(H)2	B[5,5](C[5]N[5]CH)(O[5]C[5])3	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H){1|C<3>,2|C<4>}	C(C[5]B[5,5]N[5]H)(COO)(H)2	B[5,5](C[5]N[5]CH)(O[5]C[5])3{1|C<3>,5|C<4>}	114.2830	0.000	1	114.2830	0.000	1	114.2830	0.000	1	114.2830	0.000	1	115.9320	3.945	4	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5,5]	4:4:4:1:	4:4:1:1:	3:4:4:1:	B[5,5]-4:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:N[5,5]-4:C[5]-4:H-1:	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H)	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H)	C[5](B[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]B[5,5]C[5]H)(CCHH)(H)2	B[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2C)(C[5]C[5]CH)(H){2|C<3>,7|H<1>}	114.2050	0.000	1	114.2050	0.000	1	114.2050	0.000	1	114.2050	0.000	1	115.9320	3.945	4	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5]	4:2:4:1:	4:3:4:1:	3:3:4:2:	B[5]-4:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H)	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	B[5](C[6a]C[6a]2)2(C[5]O[5]CH)(O[5]C[5])	C[5](B[5]C[6a]2O[5])(O[5]C[5])(CCCH)(H){1|B<4>,4|C<3>}	C(C[5]B[5]O[5]H)(CN[6]H)(CH3)(H)	B[5](C[6a]C[6a]2)2(C[5]O[5]CH)(O[5]C[5]){1|B<4>,4|C<3>,4|F<1>}	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	117.3830	0.000	1	115.8941	24.313	13	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5]	4:4:4:1:	4:1:1:1:	3:3:4:1:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H)	C(C[5]B[5]C[5]H)(H)3	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H){1|N<3>,3|C<3>}	C(C[5]B[5]C[5]H)(H)3	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,5|C<3>}	111.7020	0.000	1	111.0993	2.280	3	111.0993	2.280	3	111.0993	2.280	3	115.8941	24.313	13	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5]	4:4:4:1:	4:1:1:1:	3:3:4:1:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H)	C(C[5]B[5]C[5]H)(H)3	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](B[5]C[5,5]C[6a]H)(C[5]N[5,5]HH)(CH3)(H){1|N<3>,3|C<3>}	C(C[5]B[5]C[5]H)(H)3	B[5](C[5,5]N[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,2|H<1>,5|C<3>}	110.7980	2.004	2	111.0993	2.280	3	111.0993	2.280	3	111.0993	2.280	3	115.8941	24.313	13	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5]	4:4:4:1:	4:1:1:1:	3:4:4:1:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:H-1:	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H)	C(C[5]B[5]P[5]H)(H)3	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(H)	C[5](B[5]C[6a]C[5]H)(P[5]C[6a]C[5]H)(CH3)(H){4|C<3>,4|H<1>}	C(C[5]B[5]P[5]H)(H)3	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(H){2|F<1>,3|C<3>,3|H<1>}	116.2300	1.676	2	116.2300	2.808	2	116.2300	2.808	2	116.2300	2.808	2	115.8941	24.313	13	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5]	4:4:4:1:	4:1:1:1:	3:4:4:2:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:O-2:	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H)	C(C[5]B[5]P[5]H)(H)3	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(OC)	C[5](B[5]C[6a]C[5]O)(P[5]C[6a]C[5]C)(CH3)(H){4|C<3>,4|H<1>}	C(C[5]B[5]P[5]H)(H)3	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(OC){1|C<4>,2|F<1>,2|H<1>,3|C<3>}	112.6500	0.000	1	112.6500	0.000	1	112.6500	0.000	1	112.6500	0.000	1	115.8941	24.313	13	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5]	4:4:4:1:	4:1:1:1:	3:4:4:3:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-4:S-3:	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H)	C(C[5]B[5]P[5]H)(H)3	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(SCC)	C[5](B[5]C[6a]C[5]S)(P[5]C[6a]C[5]B)(CH3)(H){4|C<3>,4|H<1>}	C(C[5]B[5]P[5]H)(H)3	B[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]P[5]CH)(SCC){1|B<4>,2|F<1>,2|H<1>,3|C<3>}	111.6950	0.000	1	111.6950	0.000	1	111.6950	0.000	1	111.6950	0.000	1	115.8941	24.313	13	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5]	4:4:4:1:	4:1:1:1:	4:4:2:2:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-4:O-2:O-2:	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H)	C(C[5]B[5]C[5]H)(H)3	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2	C[5](B[5]N[5]OO)(C[5]C[5]HH)(CH3)(H){4|H<1>}	C(C[5]B[5]C[5]H)(H)3	B[5](C[5]C[5]CH)(N[5]C[5]HH)(OC)2{4|H<1>}	118.2130	1.399	2	118.2130	1.956	2	118.2130	1.956	2	118.2130	1.956	2	115.8941	24.313	13	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5]	4:4:4:1:	4:4:1:1:	3:3:4:2:	B[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H)	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5])	C[5](B[5]C[6a]2O[5])(C[5]C[5]HH)(CN[6]HH)(H){2|C<4>,4|C<3>}	C(C[5]B[5]C[5]H)(N[6]C[6]2H)(H)2	B[5](C[6a]C[6a]2)2(C[5]C[5]CH)(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>,4|F<1>}	117.5720	0.000	1	117.5720	0.000	1	117.5720	0.000	1	120.9037	48.413	3	115.8941	24.313	13	115.3908	16.287	24
474	490	786	0:SP3_SP3_SP3	C[5]	C	B[5]	4:4:4:1:	4:4:1:1:	3:3:4:2:	B[5]-4:P[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[5]-4:O[5]-2:	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H)	C(C[5]B[5]P[5]H)(CH3)(H)2	B[5](C[6a]C[6a]2)2(C[5]P[5]CH)(O[5]C[5])	C[5](B[5]C[6a]2O[5])(P[5]C[6a]2C[5])(CCHH)(H){1|H<1>,9|C<3>}	C(C[5]B[5]P[5]H)(CH3)(H)2	B[5](C[6a]C[6a]2)2(C[5]P[5]CH)(O[5]C[5]){1|H<1>,4|F<1>,7|C<3>}	122.5695	8.954	2	122.5695	80.176	2	122.5695	80.176	2	120.9037	48.413	3	115.8941	24.313	13	115.3908	16.287	24
474	490	790	0:SP3_SP-NON_SP3	C[5]	C	Cl	2:2:4:1:	4:1:1:1:	4:	O[5]-2:O[5]-2:C-4:Cl-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl)	C(C[5]O[5]2Cl)(Cl)(H)2	Cl(C[5]O[5]2C)	C[5](O[5]C[5])(O[5]O[5])(CClHH)(Cl){1|Cl<1>,1|C<4>}	C(C[5]O[5]2Cl)(Cl)(H)2	Cl(C[5]O[5]2C)	106.5195	0.465	2	106.5195	0.216	2	106.5195	0.216	2	106.5195	0.216	2	108.7538	1.777	14	108.7538	1.777	14
474	490	790	0:SP3_SP-NON_SP3	C[5]	C	Cl	3:2:4:1:	4:4:4:4:	4:	C[5,5]-3:N[5]-2:C-4:Cl-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl)	C(C[5]C[5,5]N[5]Cl)(CH3)3	Cl(C[5]C[5,5]N[5]C)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	C(C[5]C[5,5]N[5]Cl)(CH3)3	Cl(C[5]C[5,5]N[5]C)	109.0960	0.000	1	109.0960	0.000	1	109.0960	0.000	1	109.0960	0.000	1	108.7538	1.777	14	108.7538	1.777	14
474	490	790	0:SP3_SP-NON_SP3	C[5]	C	Cl	3:3:4:1:	4:3:1:1:	4:	C[5]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl)	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	Cl(C[5]C[5]2C)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl){3|C<3>}	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	Cl(C[5]C[5]2C)	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	108.7538	1.777	14	108.7538	1.777	14
474	490	790	0:SP3_SP-NON_SP3	C[5]	C	Cl	3:3:4:1:	4:3:3:1:	4:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	Cl(C[5]C[5,6a]C[5]C)	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	109.4400	0.000	1	108.7538	1.777	14	108.7538	1.777	14
474	490	790	0:SP3_SP-NON_SP3	C[5]	C	Cl	3:3:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	Cl(C[5]C[5,6a]C[5]C)	108.5760	0.431	2	108.5760	0.186	2	109.3014	0.536	5	109.3014	0.536	5	108.7538	1.777	14	108.7538	1.777	14
474	490	790	0:SP3_SP-NON_SP3	C[5]	C	Cl	3:3:4:1:	4:3:4:1:	4:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	Cl(C[5]C[5,6a]C[5]C)	109.7850	0.321	3	109.7850	0.103	3	109.3014	0.536	5	109.3014	0.536	5	108.7538	1.777	14	108.7538	1.777	14
474	490	790	0:SP3_SP-NON_SP3	C[5]	C	Cl	3:3:4:1:	4:4:1:1:	4:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl)	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	Cl(C[5]C[5,6a]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl){2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	Cl(C[5]C[5,6a]C[5]C)	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	109.2520	0.000	1	108.7538	1.777	14	108.7538	1.777	14
474	490	790	0:SP3_SP-NON_SP3	C[5]	C	Cl	4:3:4:1:	4:1:1:1:	4:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl)	C(C[5]C[5]2Cl)(H)3	Cl(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2Cl)(H)3	Cl(C[5]C[5]2C)	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	109.3490	0.000	1	108.7538	1.777	14	108.7538	1.777	14
474	490	790	0:SP3_SP-NON_SP3	C[5]	C	Cl	4:3:4:1:	4:2:1:1:	4:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl)	C(C[5]C[5]2Cl)(NN)(H)2	Cl(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl){1|C<4>,2|H<1>}	C(C[5]C[5]2Cl)(NN)(H)2	Cl(C[5]C[5]2C)	106.6010	0.000	1	106.6010	0.000	1	106.6010	0.000	1	106.6010	0.000	1	108.7538	1.777	14	108.7538	1.777	14
474	490	790	0:SP3_SP-NON_SP3	C[5]	C	Cl	4:3:4:1:	4:4:1:1:	4:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl)	C(C[5]C[5]2Cl)(CF3)(H)2	Cl(C[5]C[5]2C)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl){1|C<3>,2|H<1>}	C(C[5]C[5]2Cl)(CF3)(H)2	Cl(C[5]C[5]2C)	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	110.6040	0.000	1	108.7538	1.777	14	108.7538	1.777	14
474	490	813	0:SP3_SP2_SP3	C[5,6]	C	N[5a,6]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[5a,6]-3:C[5,6]-4:	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C(C[5,6]N[5a,6]N[5,6]C[5])(H)3	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C)	C[5,6](N[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C(C[5,6]N[5a,6]N[5,6]C[5])(H)3	N[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[5,6]N[5,6]C[5]C){1|C<4>,3|H<1>,5|C<3>}	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.8340	0.000	1	109.6287	0.042	3	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5,6]	C	N[5a,6]	3:4:4:4:	4:1:1:1:	4:3:2:	N[5a,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5a,6]-3:N[5a]-2:	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]CC)(C[5]C[5]HH)(CH3)	C(C[5,6]N[5a,6]C[5,6]C[5])(H)3	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a])	C[5,6](N[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]CC)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]N[5a,6]C[5,6]C[5])(H)3	N[5a,6](C[5,6]C[5,6]C[5]C)(C[5a,6]C[5a]C[6])(N[5a]C[5a]){2|C<3>,4|C<4>,4|H<1>}	109.5260	0.141	2	109.5260	0.020	2	109.5260	0.020	2	109.5260	0.020	2	109.6287	0.042	3	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,5a]	3:2:4:1:	4:1:1:1:	3:3:4:	N[5,5a]-3:O[5]-2:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H)	C(C[5]N[5,5a]O[5]H)(F)3	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH)	C[5](N[5,5a]C[5,5a]C[5a])(O[5]C[5])(CF3)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]N[5,5a]O[5]H)(F)3	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]H)(C[5]O[5]CH){1|O<1>,2|H<1>}	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	110.9030	0.000	1	111.8316	3.306	10	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,5a]	3:3:3:4:	4:2:1:1:	3:4:2:	C[5,6a]-3:N[5,5a]-3:C[6a]-3:C-4:	C[5]-4:N-2:H-1:H-1:	C[5,5a]-3:C[5]-4:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN)	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]N[5a])(C[6a]C[6a]2)(CHHN){1|N<2>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]N[5,5a]C[6a])(NN)(H)2	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]C[6a]C)(N[5a]N[5a]){5|C<3>}	109.6890	0.481	2	109.6890	0.231	2	109.6890	0.231	2	109.6890	0.231	2	111.8316	3.306	10	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,5a]	3:3:4:1:	4:3:1:1:	3:3:4:	N[5,5a]-3:C[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]N[5,5a]H)(COO)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,4|C<3>}	C(C[5]C[5,6a]N[5,5a]H)(COO)(H)2	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,6a]N[5a])(C[5]C[5,6a]CH){1|H<1>,4|C<3>}	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	113.5710	0.000	1	111.8316	3.306	10	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,5a]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCHH)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(H)2	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	113.2360	0.635	2	113.2360	0.403	2	113.2360	0.403	2	113.2360	0.403	2	111.8316	3.306	10	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,5a]	3:3:4:1:	4:4:4:1:	3:4:3:	C[5,6a]-3:N[5,5a]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5]-4:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H)	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5a]C[5,5a]C[5a])(CCCH)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]N[5,5a]H)(CC[6]HO)(CH3)(H)	N[5,5a](C[5,5a]C[5,6a]C[5a])(C[5]C[5,6a]CH)(C[5a]N[5a]H){1|H<1>,2|C<3>}	109.6030	0.000	1	109.6030	0.000	1	109.6030	0.000	1	109.6030	0.000	1	111.8316	3.306	10	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,5a]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C(C[5]N[5,5a]C[5]H)(H)3	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|C<4>,1|O<2>,2|C<3>}	C(C[5]N[5,5a]C[5]H)(H)3	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH){1|Br<1>,1|O<2>,2|C<4>,2|H<1>}	113.4670	0.000	1	112.2865	2.787	2	112.2865	2.787	2	112.2865	2.787	2	111.8316	3.306	10	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,5a]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5,5a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5a]-3:C[5]-4:	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H)	C(C[5]N[5,5a]C[5]H)(H)3	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH)	C[5](N[5,5a]C[5,5a]C[5a])(C[5]C[5]CH)(CH3)(H){1|Br<1>,1|O<2>,3|C<3>}	C(C[5]N[5,5a]C[5]H)(H)3	N[5,5a](C[5,5a]C[5a]C[5])(C[5a]C[5a]Br)(C[5]C[5]CH){1|Br<1>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	111.1060	0.000	1	112.2865	2.787	2	112.2865	2.787	2	112.2865	2.787	2	111.8316	3.306	10	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,5a]	3:4:4:1:	4:4:2:1:	3:3:4:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5a,6a]-3:C[5,5a]-3:C[5]-4:	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H)	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH)	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]O[5]H)(CCHO)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C(C[5]N[5,5a]C[5,5]H)(CH3)(OH)(H)	N[5,5a](C[5a,6a]C[5a,6a]C[6a])(C[5,5a]C[5,5]N[5a])(C[5]C[5,5]CH){2|C<3>,2|O<2>,3|H<1>}	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	111.8316	3.306	10	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6,6a]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5,6,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,6,6a]C[5]C)(H)3	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]N[5,6,6a]C[5]C)(H)3	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[5,3x6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	111.8340	0.727	4	111.8340	0.528	4	111.6269	1.596	12	111.6269	1.596	12	111.6269	1.596	12	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6,6a]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5,6,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[6,6,6a]-4:C[5,6,6a]-3:C[5]-4:	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,6,6a]C[5]C)(H)3	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC)	C[5](N[5,6,6a]B[6,6,6a]C[5,6,6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>}	C(C[5]N[5,6,6a]C[5]C)(H)3	N[5,6,6a](B[6,6,6a]N[5,6,6a]C[6,6]C[6a])(C[5,6,6a]B[6,6,6a]O[5])(C[5]C[5]CC){2|C<4>,4|C<3>,4|H<1>}	111.5234	1.499	8	111.5234	2.246	8	111.6269	1.596	12	111.6269	1.596	12	111.6269	1.596	12	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:3:4:1:	4:1:1:1:	3:3:4:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H)	C(C[5]N[5,6a]C[5]H)(H)3	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	C(C[5]N[5,6a]C[5]H)(H)3	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|S<2>,2|C<3>}	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	113.6320	0.000	1	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6a]-3:N[5,6a]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H)	C(C[5]C[5,6a]N[5,6a]H)(COO)(H)2	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[5,6a]C[6a])(CCHH)(H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]N[5,6a]H)(COO)(H)2	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){4|C<3>}	110.8520	0.000	1	110.8520	0.000	1	110.8520	0.000	1	113.2080	11.101	2	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:3:4:1:	4:3:1:1:	3:3:4:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]N[5,6a]C[5]H)(COO)(H)2	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|N<2>,1|O<1>,2|C<3>}	C(C[5]N[5,6a]C[5]H)(COO)(H)2	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>}	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	113.2080	11.101	2	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:3:4:2:	4:1:1:1:	3:3:4:	N[5,6a]-3:N[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC)	C(C[5]N[5,6a]N[5]O)(H)3	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO)	C[5](N[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OC){2|C<3>,2|O<1>}	C(C[5]N[5,6a]N[5]O)(H)3	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	112.2470	0.000	1	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C(C[5]N[5,6a]C[5]C)(H)3	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C(C[5]N[5,6a]C[5]C)(H)3	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC){1|H<1>,4|C<3>}	110.3790	0.687	2	110.3790	0.472	2	110.2433	0.563	6	110.2433	0.563	6	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C(C[5]N[5,6a]C[5]C)(H)3	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C(C[5]N[5,6a]C[5]C)(H)3	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	110.1755	0.873	4	110.1755	0.762	4	110.2433	0.563	6	110.2433	0.563	6	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]N[5,6a]C[5]H)(H)3	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C(C[5]N[5,6a]C[5]H)(H)3	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]2)(C[5]C[5]CH){3|H<1>,5|C<3>}	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.3355	0.002	2	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:4:4:1:	4:1:1:1:	3:3:4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H)	C(C[5]N[5,6a]C[5]H)(H)3	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]S[5]H)(CH3)(H){1|N<2>,1|O<1>,3|C<3>}	C(C[5]N[5,6a]C[5]H)(H)3	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH){1|H<1>,3|C<3>}	110.3650	0.000	1	110.3650	0.000	1	110.3650	0.000	1	110.3355	0.002	2	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:4:4:1:	4:2:1:1:	3:4:3:	N[5,6a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H)	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C(C[5]N[5,6a]C[5,5]H)(OH)(H)2	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O){1|C<3>,2|O<2>,4|H<1>}	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	112.8180	0.000	1	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:4:4:1:	4:4:1:1:	3:3:4:	N[5,6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H)	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CCHH)(H){1|O<1>,3|C<3>}	C(C[5]N[5,6a]C[5]H)(CCHH)(H)2	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){2|C<3>,4|H<1>}	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	110.6960	0.000	1	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5,6a]	3:4:4:4:	4:1:1:1:	4:3:4:	N[5,6a]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[6a]-4:C[5,6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2	C(C[5]N[5,6a]C[5]C)(H)3	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC)	C[5](N[5,6a]C[5,6a]B[6a])(C[5]O[5]HH)(CH3)2{1|B<4>,1|N<3>,2|C<3>}	C(C[5]N[5,6a]C[5]C)(H)3	N[5,6a](B[6a]N[5,6a]C[6a]2)(C[5,6a]B[6a]O[5])(C[5]C[5]CC){2|C<4>,2|H<1>,6|C<3>}	112.1400	2.255	8	112.1400	5.084	8	112.1400	5.084	8	112.1400	5.084	8	111.5936	3.719	22	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5a]	3:3:3:4:	4:3:4:1:	4:3:2:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	109.5275	0.870	2	109.5275	0.758	2	109.5275	0.758	2	109.5275	0.758	2	110.0686	2.743	7	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5a]	3:3:3:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){4|C<3>,4|H<1>}	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	109.9280	0.000	1	109.9280	0.000	1	110.0980	0.058	2	109.6587	0.608	3	110.0686	2.743	7	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5a]	3:3:3:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5a]-3:N[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	110.2680	0.000	1	110.2680	0.000	1	110.0980	0.058	2	109.6587	0.608	3	110.0686	2.743	7	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5a]	3:3:3:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH)	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	109.6587	0.608	3	110.0686	2.743	7	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5a]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5a]-3:C[5a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]C)(C[5a]C[5a]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	113.5400	0.000	1	113.5400	0.000	1	113.5400	0.000	1	113.5400	0.000	1	110.0686	2.743	7	111.3382	3.149	54
474	490	813	0:SP3_SP2_SP3	C[5]	C	N[5a]	3:3:4:4:	4:1:1:1:	4:3:2:	C[5,6a]-3:N[5a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5a]-3:N[5a]-2:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3)	C(C[5]C[5,6a]N[5a]C[5])(H)3	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a])	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5a]N[5]H)(CH3){2|H<1>,2|N<2>,5|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(H)3	N[5a](C[5]C[5,6a]C[5]C)(C[5a]C[5a]H)(N[5a]N[5a]){1|H<1>,2|N<3>,3|C<3>}	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	108.9090	0.000	1	110.0686	2.743	7	111.3382	3.149	54
474	490	813	0:SP3_SP3_SP3	C[5,6,6]	C	N[5,5a,6]	3:3:4:4:	4:1:1:1:	4:3:3:	N[5,5a,6]-3:C[6,6]-3:C[5,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:B[5a,6]-3:N[5,5a]-3:	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3)	C(C[5,6,6]N[5,5a,6]C[5,6]C[6,6])(H)3	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5])	C[5,6,6](N[5,5a,6]B[5a,6]N[5,5a])(C[6,6]C[6,6a]C[6])(C[5,6]B[5]C[6]H)(CH3){1|O<2>,2|C<4>,5|C<3>}	C(C[5,6,6]N[5,5a,6]C[5,6]C[6,6])(H)3	N[5,5a,6](C[5,6,6]C[5,6]C[6,6]C)(B[5a,6]C[6,6a]O[5a])(N[5,5a]C[5a]B[5]){1|H<1>,1|O<1>,5|C<3>}	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.6730	0.000	1	109.0520	0.647	3
474	490	813	0:SP3_SP3_SP3	C[5,6]	C	N[5a,6]	3:3:3:4:	4:3:1:1:	4:3:3:	N[5a,6]-3:C[5,6]-3:N[5]-3:C-4:	C[5,6]-4:N-3:H-1:H-1:	C[5,6]-4:N[5a,6]-3:C[5a]-3:	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN)	C(C[5,6]N[5a,6]C[5,6]N[5])(NCS)(H)2	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O)	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5,6]N[5a,6]C[5,6]N[5])(NCS)(H)2	N[5a,6](C[5,6]C[5,6]N[5]C)(N[5a,6]C[5a]C[6])(C[5a]N[5a]O){1|O<1>,2|H<1>,5|C<3>}	108.1430	0.000	1	108.1430	0.000	1	108.1430	0.000	1	108.1430	0.000	1	108.1430	0.000	1	109.0520	0.647	3
474	490	813	0:SP3_SP3_SP3	C[5]	C	N[5,5a]	3:4:4:1:	4:3:1:1:	3:4:3:	N[5,5a]-3:C[5,5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:C[5a]-3:	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H)	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O)	C[5](N[5,5a]N[5,5a]C[5a])(C[5,5]C[5,5]N[5]H)(CC[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|N<3>}	C(C[5]N[5,5a]C[5,5]H)(C[5]C[5]2)(H)2	N[5,5a](N[5,5a]C[5,5]C[5a])(C[5]C[5,5]CH)(C[5a]N[5a]O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.3400	0.000	1	109.0520	0.647	3
474	490	818	0:SP3_SP2_SP3	C[3x5,6,6]	C	C[5,5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[3x5,6,6]-4:C[3x5,3x6]-4:C[5,5]-3:C-4:	C[3x5,6,6]-4:C-4:H-1:H-1:	C[3x5,6,6]-4:C[3x5,6,6]-4:O-1:	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]O)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(CCHH)	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(O)	C[3x5,6,6](C[3x5,6,6]C[3x5,3x6]C[5,5]O)(C[3x5,3x6]C[3x5,6,6]2H)(C[5,5]C[3x5,6,6]O)(CCHH){3|C<4>,5|H<1>}	C(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C[5,5])(CCHH)(H)2	C[5,5](C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]C)(C[3x5,6,6]C[3x5,3x6]C[3x5,6,6]H)(O){1|O<2>,3|H<1>,4|C<4>}	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	114.0480	0.000	1	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[3x5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|I<1>,5|C<4>}	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	117.0620	0.000	1	115.8450	1.245	3	115.8450	1.245	3	115.8450	1.245	3	116.4517	1.824	7	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[3x5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|C<3>,5|C<4>}	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	115.6030	0.000	1	115.8450	1.245	3	115.8450	1.245	3	115.8450	1.245	3	116.4517	1.824	7	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[3x5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:4:	P[4,5,5,6,6]-3:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3)	C[3x5,6](P[4,5,5,6,6]C[4,5,5,6,6]P[4,5,3x6])(C[3x5,6,6]C[5,5,3x6]C[5,5,6,6]C)(C[5,6]C[5,6]C)(CH3){1|Ga<4>,1|C<3>,5|C<4>}	C(C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C[5,6])(H)3	C[5,6](C[3x5,6]P[4,5,5,6,6]C[3x5,6,6]C)(C[5,6]C[5,5,3x6]C)(CH3){1|P<4>,4|C<4>}	114.8700	0.000	1	115.8450	1.245	3	115.8450	1.245	3	115.8450	1.245	3	116.4517	1.824	7	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[3x5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3)	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]P[3,5,5]C)(C[4x5]C[3x5,6]P[5,5]H)(C[5,6]C[5,6]C)(CH3){1|Mo<6>,1|C<3>,3|C<4>}	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(H)3	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(C[5,6]C[3x5,6]C)(CH3){1|C<3>,1|H<1>,1|P<3>,1|P<4>,2|C<4>}	114.8910	0.000	1	114.8910	0.000	1	114.8910	0.000	1	116.8533	3.243	3	116.4517	1.824	7	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[3x5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[4,3x5]-4:C[5,5,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3)	C(C[3x5,6]C[4,3x5]C[5,5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(C[5,5,6]C[4,5,5,6]CH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<2>,1|W<6>,2|C<4>}	C(C[3x5,6]C[4,3x5]C[5,5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]C[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|C<3>,1|H<1>,1|P<4>,3|C<4>}	117.2390	0.000	1	117.2390	0.000	1	117.2390	0.000	1	116.8533	3.243	3	116.4517	1.824	7	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[3x5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[4,3x5]-4:P[5,5,6]-4:C[5,6]-3:C-4:	C[3x5,6]-4:H-1:H-1:H-1:	C[3x5,6]-4:C[5,6]-3:C-4:	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3)	C(C[3x5,6]C[4,3x5]P[5,5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3)	C[3x5,6](C[4,3x5]C[4,5,5,6]P[4,5]C)(P[5,5,6]P[4,5,5,6]HW)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	C(C[3x5,6]C[4,3x5]P[5,5,6]C[5,6])(H)3	C[5,6](C[3x5,6]C[4,3x5]P[5,5,6]C)(C[5,6]C[4,5,5,6]C)(CH3){1|H<1>,1|P<3>,1|P<4>,1|W<6>,2|C<4>}	118.4300	0.000	1	118.4300	0.000	1	118.4300	0.000	1	116.8533	3.243	3	116.4517	1.824	7	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[3x5,6]	C	C[5,6]	4:4:3:4:	4:3:1:1:	4:2:1:	C[3,5,5,6]-4:C[4x5]-4:C[5,6]-3:C-4:	C[3x5,6]-4:C-3:H-1:H-1:	C[3x5,6]-4:O[5,6]-2:O-1:	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]O[5,6]O)(CCHH)	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(CClC)(H)2	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(O[5,6]C[3x5,6])(O)	C[3x5,6](C[3,5,5,6]C[3,5,5,6]C[3,5,5]C)(C[4x5]C[3x5,6]C[5,5]H)(C[5,6]O[5,6]O)(CCHH){5|H<1>}	C(C[3x5,6]C[3,5,5,6]C[4x5]C[5,6])(CClC)(H)2	C[5,6](C[3x5,6]C[3,5,5,6]C[4x5]C)(O[5,6]C[3x5,6])(O){2|H<1>,4|C<4>}	117.0670	0.000	1	117.0670	0.000	1	117.0670	0.000	1	117.0670	0.000	1	116.4517	1.824	7	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[4x5,6]	C	C[5,5,6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[4,4x5,6]-4:C[5,5,6,6]-4:C[5,5,6]-3:C-4:	C[4x5,6]-4:C-4:H-1:H-1:	C[4,5,5,6]-4:C[4x5,6]-4:O-1:	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH)	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C)(O)	C[4x5,6](C[4,4x5,6]C[4,5,5,6,6]C[4,5]C[5,6])(C[5,5,6,6]C[5,6,6]C[5,6]H)(C[5,5,6]C[4,5,5,6]O)(CCHH){1|O<2>,2|C<4>,7|H<1>}	C(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C[5,5,6])(CCHH)(H)2	C[5,5,6](C[4,5,5,6]C[4,5,5,6,6]C[4,5]H)(C[4x5,6]C[4,4x5,6]C[5,5,6,6]C)(O){2|H<1>,5|C<4>}	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	116.3410	0.000	1	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,3x6]	C	C[5,6]	4:4:3:4:	4:4:4:1:	4:3:3:	Ge[5,3x6]-4:C[3x6]-4:C[5,6]-3:C-4:	C[5,3x6]-4:C-4:C-4:H-1:	C[5,3x6]-4:C[5,6a]-3:C[6]-3:	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH)	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C)	C[5,3x6](Ge[5,3x6]C[5,6a]C[6,6]2)(C[3x6]Ge[3x6]C[6]H)(C[5,6]C[5,6a]C[6])(CCCH){2|C<4>,2|H<1>,6|C<3>}	C(C[5,3x6]Ge[5,3x6]C[3x6]C[5,6])(CH3)2(H)	C[5,6](C[5,3x6]Ge[5,3x6]C[3x6]C)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]C){1|Ge<4>,3|H<1>,5|C<3>}	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	107.8680	0.000	1	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,3x6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Cl)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Cl)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Cl<1>,1|P<3>,4|C<4>}	115.1100	0.000	1	115.1100	0.000	1	115.6923	1.853	3	115.6923	1.853	3	115.6923	1.853	3	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,3x6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Ga)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]Ga)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|Ga<4>,1|P<3>,4|C<4>}	114.7190	0.000	1	114.7190	0.000	1	115.6923	1.853	3	115.6923	1.853	3	115.6923	1.853	3	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,3x6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	P[4,5,3x6]-4:C[3x5,6,6]-4:C[5,6]-3:C-4:	C[5,5,3x6]-4:H-1:H-1:H-1:	C[5,5,3x6]-4:C[5,6]-3:C-4:	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]I)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3)	C[5,5,3x6](P[4,5,3x6]P[4,5,5,6,6]C[4,5,6]I)(C[3x5,6,6]C[5,5,6,6]C[3x5,6]C)(C[5,6]C[5,6]C)(CH3){2|C<3>,5|C<4>}	C(C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C[5,6])(H)3	C[5,6](C[5,5,3x6]C[3x5,6,6]P[4,5,3x6]C)(C[5,6]C[3x5,6]C)(CH3){1|I<1>,1|P<3>,4|C<4>}	117.2480	0.000	1	117.2480	0.000	1	115.6923	1.853	3	115.6923	1.853	3	115.6923	1.853	3	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,4x6]	C	C[5,5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[4,5,4x6]-4:C[5,5x6]-4:C[5,5]-3:C-4:	C[5,5,4x6]-4:H-1:H-1:H-1:	C[4,5,5,6]-4:C[5,5,4x6]-4:C[5]-3:	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3)	C(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C[5,5])(H)3	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,4x6]C)(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C)(C[5]S[5]2)	C[5,5,4x6](C[4,5,4x6]C[4,4,5,6,6]C[4,3x6]C[6a])(C[5,5x6]C[4,5,4x6]C[6,6]H)(C[5,5]C[4,5,5,6]C[5])(CH3){2|S<2>,3|C<3>,3|C<4>,4|H<1>}	C(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C[5,5])(H)3	C[5,5](C[4,5,5,6]C[4,4,5,6,6]C[4,5,4x6]C)(C[5,5,4x6]C[4,5,4x6]C[5,5x6]C)(C[5]S[5]2){2|H<1>,3|C<4>,4|C<3>}	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6,6]	C	C[5,6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3x5,6]-4:C[5,5,6]-4:C[5,6,6]-3:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6,6]-4:O-1:	C[5,5,6,6](C[3x5,6]C[3,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,6,6]C[5,5,6,6]O)(CH3)	C(C[5,5,6,6]C[3x5,6]C[5,5,6]C[5,6,6])(H)3	C[5,6,6](C[5,5,6,6]C[3,5,6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(O)	C[5,5,6,6](C[3x5,6]C[3,5,6]C[3x5,6]H)(C[5,5,6]C[5,5,6]O[5]C)(C[5,6,6]C[5,5,6,6]O)(CH3){3|H<1>,5|C<4>}	C(C[5,5,6,6]C[3x5,6]C[5,5,6]C[5,6,6])(H)3	C[5,6,6](C[5,5,6,6]C[3,5,6]C[3x5,6]H)(C[5,5,6,6]C[3x5,6]C[5,5,6]C)(O){1|O<2>,2|H<1>,5|C<4>}	115.1790	0.796	2	115.1790	0.634	2	115.1790	0.634	2	115.1790	0.634	2	115.1790	0.634	2	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:2:1:	N[3x5,6]-3:C[5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:O[5,6]-2:O-1:	C[5,5,6,6](N[3x5,6]C[3x5,6]C[5,6])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]O)(CH3)	C(C[5,5,6,6]C[5,6,6]N[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]N[3x5,6]C)(O[5,6]C[3x5,6])(O)	C[5,5,6,6](N[3x5,6]C[3x5,6]C[5,6])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5,5,6,6]C[5,6,6]N[3x5,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[5,6,6]N[3x5,6]C)(O[5,6]C[3x5,6])(O){1|C<3>,2|C<4>,2|H<1>}	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	116.5470	0.710	4	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3x5,6]-4:C[5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:H-1:	C[5,5,6,6](C[3x5,6]C[4x5,6,6]C[5,6]H)(C[5,6,6]C[3x5,3x6]HH)(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,6]C[4x5,6,6]H)(H)	C[5,5,6,6](C[3x5,6]C[4x5,6,6]C[5,6]H)(C[5,6,6]C[3x5,3x6]HH)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,5,6,6]C[3x5,6]C[5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]C)(C[5,6]C[4x5,6,6]H)(H){3|C<4>,3|H<1>}	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	116.9810	0.000	1	116.5470	0.710	4	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]C[6a])(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|N<3>,1|W<6>,2|C<4>,2|H<1>,3|C<3>}	C(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|C<3>,1|P<4>,4|C<4>}	117.2360	0.000	1	117.2360	0.000	1	116.9340	0.182	2	116.9340	0.182	2	116.5470	0.710	4	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[3,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-3:C-4:	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3)	C[5,5,6,6](C[3,5,6,6]C[3,5,6,6]P[3,6,6]H)(C[5,5,6,6]C[5,5,6,6]C[6,6]C)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,1|W<6>,2|C<3>,2|C<4>}	C(C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C[5,6])(H)3	C[5,6](C[5,5,6,6]C[3,5,6,6]C[5,5,6,6]C)(C[5,6]C[5,5,6,6]C)(CH3){1|H<1>,1|P<4>,4|C<4>}	116.6320	0.000	1	116.6320	0.000	1	116.9340	0.182	2	116.9340	0.182	2	116.5470	0.710	4	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[4,5,5,6,6]-4:C[3x5,6,6]-4:C[5]-3:C-4:	C[5,5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3)	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3)	C[5,5,6,6](C[4,5,5,6,6]P[4,5,5,6,6]C[4,5,6]C)(C[3x5,6,6]C[5,5,3x6]C[3x5,6]C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,4|C<4>}	C(C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C[5])(H)3	C[5](C[5,5,6,6]C[4,5,5,6,6]C[3x5,6,6]C)(C[5]C[4,5,6]C)(CH3){1|P<3>,1|P<4>,5|C<4>}	110.3983	0.447	3	110.3983	0.200	3	110.3983	0.200	3	110.3983	0.200	3	110.3983	0.200	3	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,5,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-3:N[5]-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]C[5])(N[5]N[5]Zn)	C[5,5,6](C[5,5,6]C[5,5,6]N[5])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|Zn<4>,1|C<3>,1|N<3>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]C[5])(N[5]N[5]Zn){4|C<4>,4|H<1>}	118.5955	0.268	4	118.5955	0.072	4	118.5955	0.072	4	118.5955	0.072	4	118.5955	0.072	4	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	3:3:3:4:	4:1:1:1:	4:4:4:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(CH3)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(CH3){2|C<4>,2|N<3>}	119.1410	0.375	4	119.1410	0.140	4	119.1410	0.140	4	119.1410	0.140	4	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	3:3:3:4:	4:4:4:4:	4:4:1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O){1|C<4>,1|H<1>,2|C<3>}	109.2510	0.000	1	109.2510	0.000	1	111.2755	8.197	2	111.2755	8.197	2	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	3:3:3:4:	4:4:4:4:	4:4:1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3){2|C<4>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,6]C)2(O){1|C<4>,1|H<1>,2|C<3>}	113.3000	0.000	1	113.3000	0.000	1	111.2755	8.197	2	111.2755	8.197	2	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6,6a]-3:C[4,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[4,5,6]C[4,5,6]2C)(C[5,5]C[5,5,6]O)(CH3){1|H<1>,3|C<4>,4|C<3>}	C(C[5,5,6]C[5,6,6a]C[4,5,6]C[5,5])(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[4,5,6]C)2(O){2|C<4>,4|C<3>}	114.0425	0.499	2	114.0425	0.249	2	114.0425	0.249	2	115.1706	0.536	14	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	114.6660	0.000	1	114.6660	0.000	1	115.3587	0.341	12	115.1706	0.536	14	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	116.3545	0.100	2	115.4216	0.323	11	115.3587	0.341	12	115.1706	0.536	14	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6,6a]-3:C[5,5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a,6a])(C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5,6]C[5,5])(H)3	C[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)2(O){2|H<1>,4|C<3>}	115.2143	0.370	9	115.4216	0.323	11	115.3587	0.341	12	115.1706	0.536	14	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O){3|C<3>,3|C<4>}	116.5600	0.000	1	116.5600	0.000	1	116.5600	0.000	1	116.5600	0.000	1	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	4:3:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH)	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(O)	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH){1|C<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(O){1|Si<4>,1|C<3>,1|C<4>,3|H<1>}	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	117.9900	0.000	1	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	4:3:3:4:	4:4:4:1:	4:4:1:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C[5,5](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(O){1|H<1>,2|C<3>,3|C<4>}	121.2530	0.000	1	121.2530	0.000	1	121.2530	0.000	1	121.2530	0.000	1	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5,5]-3:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(O)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(O){3|C<3>,5|H<1>}	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	116.7610	0.000	1	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5,6]-4:C[5,5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(O)	C[5,5,6](C[5,6]C[5,6]C[6a]H)2(C[5,5]C[5,5,6]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,5](C[5,5,6]C[5,6]2C)2(O){3|C<3>,5|H<1>}	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	117.8430	0.000	1	116.0764	6.043	25	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6]	3:2:3:4:	4:1:1:1:	4:3:3:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-3:N[6]-3:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S)	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|H<1>,1|S<4>,3|C<4>}	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]C[6])(N[6]C[6]S){1|C<3>,2|C<4>,5|H<1>}	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	115.4189	2.026	16	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6]	3:2:3:4:	4:1:1:1:	4:3:4:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-3:C[6]-4:	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH)	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,6,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6,6]C[5,5,6]N[6])(C[6]C[6]HH){1|C<3>,1|S<4>,2|C<4>,3|H<1>}	117.8000	0.000	1	117.8000	0.000	1	117.8000	0.000	1	117.8000	0.000	1	115.4189	2.026	16	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:4:2:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<3>,1|O<2>,4|H<1>}	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){2|C<3>,3|C<4>,3|H<1>}	115.1920	0.000	1	114.9399	0.216	14	114.9399	0.216	14	114.9399	0.216	14	115.4189	2.026	16	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:4:2:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,4|H<1>}	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,3|C<4>,5|H<1>}	115.3950	0.000	1	114.9399	0.216	14	114.9399	0.216	14	114.9399	0.216	14	115.4189	2.026	16	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:4:2:	C[5,6,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[6]-2:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6])	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|C<4>,1|O<2>,4|H<1>}	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(H)3	C[5,6,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6,6]C[5,5,6]O[6]H)(N[6]C[6]){1|C<3>,4|C<4>,4|H<1>}	114.8810	0.476	12	114.9399	0.216	14	114.9399	0.216	14	114.9399	0.216	14	115.4189	2.026	16	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	2:3:3:4:	4:1:1:1:	4:3:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<4>,2|C<3>}	118.5675	0.794	2	118.5675	0.631	2	118.5675	0.631	2	118.5675	0.631	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	2:3:3:4:	4:1:1:1:	4:3:3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<3>,1|C<4>,1|H<1>}	118.8640	1.389	2	118.8640	1.929	2	118.8640	1.929	2	118.8640	1.929	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	2:3:3:4:	4:3:1:1:	4:3:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN)	C(C[5,5,6]C[5,6]2O[5,5])(NHS)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(NHS)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	117.0960	0.000	1	117.0960	0.000	1	117.0960	0.000	1	117.0960	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	2:3:3:4:	4:3:1:1:	4:3:3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN)	C(C[5,5,6]C[5,6]2O[5,5])(NHS)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CHHN){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(NHS)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<3>,2|H<1>}	117.6440	0.000	1	117.6440	0.000	1	117.6440	0.000	1	117.6440	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	2:3:3:4:	4:3:1:1:	4:4:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:O-1:	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6]2)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	C[5,6](C[5,3x6]C[5,5,3x6]C[6]2)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	118.1810	0.000	1	118.1810	0.000	1	118.1810	0.000	1	117.2055	1.903	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	2:3:3:4:	4:3:1:1:	4:4:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,5,6](O[5,5]C[5,5,3x6])(C[5,6]C[5,3x6]O)(C[5,6]C[5,6,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,1|O<2>,4|C<4>}	116.2300	0.000	1	116.2300	0.000	1	116.2300	0.000	1	117.2055	1.903	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	2:3:3:4:	4:4:1:1:	4:3:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	119.2110	0.000	1	119.2110	0.000	1	118.7770	0.377	2	118.7770	0.377	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	2:3:3:4:	4:4:1:1:	4:3:1:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,2|C<3>}	118.3430	0.000	1	118.3430	0.000	1	118.7770	0.377	2	118.7770	0.377	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	2:3:3:4:	4:4:1:1:	4:3:3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]O)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CC[5]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]O){1|C<3>,2|H<1>}	119.2270	0.000	1	119.2270	0.000	1	118.0455	2.792	2	118.0455	2.792	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	2:3:3:4:	4:4:1:1:	4:3:3:	O[5,5]-2:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[6]O)	C[5,5,6](O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(C[5,6]C[5,6]H)(CCHH){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CC[6]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CC[6]O){1|C<3>,2|H<1>}	116.8640	0.000	1	116.8640	0.000	1	118.0455	2.792	2	118.0455	2.792	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:2:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|N<3>,2|C<4>,3|H<1>}	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>}	117.9970	0.000	1	117.9970	0.000	1	119.1195	2.520	2	118.6013	2.065	3	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:2:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]N[6])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|H<1>,1|S<4>,3|C<4>}	C(C[5,5,6]C[5,6,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.2420	0.000	1	120.2420	0.000	1	119.1195	2.520	2	118.6013	2.065	3	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:2:3:4:	4:1:1:1:	4:3:1:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,2|C<3>}	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	118.6013	2.065	3	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:2:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	120.2890	0.000	1	120.2890	0.000	1	119.2845	2.018	2	119.2845	2.018	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:2:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CN[5]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CN[5]O){1|C<4>,2|C<3>}	118.2800	0.000	1	118.2800	0.000	1	119.2845	2.018	2	119.2845	2.018	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:2:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3){1|C<3>,4|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6,6]C[3x5,6,6]C[5]C[6])(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<2>,2|O<1>,5|C<4>}	117.4140	0.000	1	117.4140	0.000	1	117.4140	0.000	1	116.8470	0.643	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:2:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,6,6]C[3x5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,5,6](C[5,6]C[5,5,6,6]O)(O[5,5]C[3x5,6,6])(C[5,6]C[5,6,6]O)(CH3){1|C<3>,4|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,6,6]C[3x5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,2|H<1>,3|C<4>}	116.2800	0.000	1	116.2800	0.000	1	116.2800	0.000	1	116.8470	0.643	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:2:3:4:	4:2:1:1:	4:3:4:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHO){2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(OSi)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|H<1>,2|C<3>}	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	118.5720	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:2:3:4:	4:3:1:1:	4:3:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CHHN){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(NHS)(H)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]C)(COO){1|C<4>,2|C<3>}	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	119.0700	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:2:3:4:	4:4:4:1:	4:4:3:	C[5,6,6a]-3:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6a]C[5,6]O[5,5])(CH3)2(H)	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]C)(C[5,6]C[5,5,6]HH)(CN[5]O){1|C<4>,2|C<3>}	119.4350	0.000	1	119.4350	0.000	1	119.4350	0.000	1	119.4350	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Al)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Al){1|C<3>,3|C<4>}	117.7995	0.307	4	117.7995	0.094	4	117.7995	0.094	4	117.7995	0.094	4	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,5]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]C)(C[5,6]C[5,6]C)(C[5,6]C[5,6]N)(CH3){1|N<3>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|N<3>,2|C<4>}	118.9013	0.892	4	118.9013	0.796	4	118.9013	0.796	4	118.9013	0.796	4	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:3:3:4:	4:4:4:4:	4:3:1:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CC3){2|C<4>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]C)(H){1|C<4>,1|O<1>,2|C<3>}	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	116.5980	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:3:3:4:	4:4:4:4:	4:3:4:	C[5,6,6a]-3:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:C-4:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3)	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6,6a]C[5,5]C[5,6])(CH3)3	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(C[5,6]C[5,5,6]H)(CC3){1|C<4>,1|O<1>,2|C<3>}	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	121.9570	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:N[5,6]-3:C[5,5]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C[6]-3:	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,5,6](C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[5,5]C[5]2O)(CH3){2|H<1>,5|C<3>}	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5]C[5]C)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	112.7850	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:1:	S[5,5]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](S[5,5]C[5,5,6]O)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]H)(CH3){4|H<1>}	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	117.9600	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|C<4>,3|C<3>,4|H<1>}	114.7410	0.595	2	115.6415	0.863	6	115.6415	0.863	6	115.6415	0.863	6	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Pd<4>,4|C<3>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Pd<4>,1|C<4>,3|C<3>,4|H<1>}	116.3610	1.093	2	115.6415	0.863	6	115.6415	0.863	6	115.6415	0.863	6	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[6a]-3:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Rh<6>,4|C<3>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C)(C[6a]C[6a]2){1|Rh<6>,1|C<4>,3|C<3>,4|H<1>}	115.8225	0.203	2	115.6415	0.863	6	115.6415	0.863	6	115.6415	0.863	6	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<4>,3|C<3>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){2|H<1>,4|C<3>}	115.1325	1.411	2	115.4498	1.299	6	115.4498	1.299	6	115.4498	1.299	6	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Pd<4>,4|C<3>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Pd<4>,2|H<1>,4|C<3>}	114.8265	0.028	2	115.4498	1.299	6	115.4498	1.299	6	115.4498	1.299	6	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,6]C[5,6]C[6a])(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|Rh<6>,4|C<3>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|Rh<6>,2|H<1>,4|C<3>}	116.3905	1.326	2	115.4498	1.299	6	115.4498	1.299	6	115.4498	1.299	6	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5,5]-4:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C[5a]-3:	C[5,5,6](C[5,6]C[5,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2)	C[5,5,6](C[5,6]C[5,6]C[5a])(C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(CH3){1|P<4>,2|C<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(C[5a]C[5a]2){1|C<3>,1|P<4>,1|S<2>,3|H<1>,4|C<4>}	117.2550	0.000	1	117.2550	0.000	1	117.2550	0.000	1	117.2550	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])(O)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){2|C<4>,3|C<3>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])(O){1|C<3>,1|H<1>,2|C<4>}	114.3840	0.000	1	114.3840	0.000	1	115.9480	4.892	2	115.9480	4.892	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])(O)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]O[5,6]O)(CH3){1|C<3>,2|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(O[5,6]C[5,5,6])(O){2|C<4>,2|H<1>}	117.5120	0.000	1	117.5120	0.000	1	115.9480	4.892	2	115.9480	4.892	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	119.1440	0.505	2	119.4120	0.311	6	119.4120	0.311	6	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,3|C<4>}	119.1960	0.635	2	119.4120	0.311	6	119.4120	0.311	6	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[3,5,6]C[3,5,6]C[3]C)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5,5,6]C[3,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[3,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){4|C<4>}	119.8960	0.440	2	119.4120	0.311	6	119.4120	0.311	6	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.6125	0.083	2	118.0540	0.365	4	118.1142	0.292	5	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	118.4955	0.555	2	118.0540	0.365	4	118.1142	0.292	5	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CH3){1|C<4>,1|O<2>,2|F<1>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|H<1>,1|O<2>,2|C<4>}	118.3550	0.000	1	118.3550	0.000	1	118.1142	0.292	5	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.2515	0.148	2	117.2515	0.022	2	117.6135	0.337	4	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CH3){1|Cl<1>,1|H<1>,2|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	117.9755	0.681	2	117.9755	0.464	2	117.6135	0.337	4	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O)	C[5,5,6](C[5,6]C[5,5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|H<1>,3|C<3>}	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O){1|C<4>,1|H<1>,2|C<3>}	113.0530	0.000	1	113.0530	0.000	1	113.7741	0.480	8	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O)	C[5,5,6](C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){2|C<3>,2|H<1>}	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O){1|C<4>,1|H<1>,2|C<3>}	113.3160	0.706	3	113.3160	0.499	3	113.7741	0.480	8	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:S[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3)	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O)	C[5,5,6](C[5,6]C[5,6]C[6a]H)(S[5,5]C[5,5,6])(C[5,6]N[5,6]O)(CH3){1|N<3>,2|H<1>,3|C<3>}	C(C[5,5,6]C[5,6]2S[5,5])(H)3	C[5,6](C[5,5,6]C[5,6]S[5,5]C)(N[5,6]C[5,5,6]H)(O){1|C<4>,1|H<1>,2|C<3>}	114.2980	0.197	4	114.2980	0.039	4	113.7741	0.480	8	116.8561	6.022	23	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:3:4:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	118.1520	0.337	2	118.1520	0.113	2	118.1520	0.113	2	118.1520	0.113	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:1:1:1:	4:4:3:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(CHH)	C[5,5,6](C[5,5,6]C[5,6]C[5]O[5])(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CH3){1|C<4>,1|O<2>,1|S<4>,2|F<1>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]HS)(CHH){1|H<1>,1|O<2>,2|C<4>}	115.5930	0.000	1	115.5930	0.000	1	115.5930	0.000	1	115.5930	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:2:1:1:	4:3:1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	117.8858	0.510	4	118.1077	0.274	6	118.1077	0.274	6	118.1077	0.274	6	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:2:1:1:	4:3:1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CHHO){1|C<3>,1|O<1>,2|H<1>,2|N<3>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(OH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	118.5515	0.009	2	118.1077	0.274	6	118.1077	0.274	6	118.1077	0.274	6	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:3:1:1:	4:2:3:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:N-3:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:C-3:	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NCS)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6])(CHH)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(O[5,5]C[5,5,6])(C[5,6]O[5,6]C)(CHHN){1|H<1>,2|C<3>,2|C<4>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(NCS)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(O[5,6]C[5,5,6])(CHH){1|H<1>,1|N<3>,2|C<4>}	119.1905	0.964	4	119.1905	0.929	4	119.1905	0.929	4	119.1905	0.929	4	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH)	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CN[5]HH){2|C<4>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){2|C<4>,2|H<1>}	118.0620	0.730	2	118.0620	0.533	2	118.0620	0.533	2	118.0620	0.533	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:3:1:1:	4:3:3:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CCC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CCO)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]C)(CCHH){1|H<1>,3|C<4>}	C(C[5,5,6]C[5,6]2O[5,5])(CCC)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]C)(CCO){1|C<3>,1|C<4>,2|H<1>}	116.7400	1.024	2	116.7400	1.048	2	116.7400	1.048	2	116.7400	1.048	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:3:1:1:	4:4:1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,6]C[5,6]HO)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(CCHH){1|O<2>,4|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	116.5745	0.726	4	116.5745	0.527	4	116.5745	0.527	4	116.5745	0.527	4	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:4:1:1:	4:3:1:	C[5,5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,2|H<1>}	118.4660	0.322	3	118.4660	0.103	3	118.4660	0.103	3	118.1584	0.350	5	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H)	C[5,5,6](C[5,6]C[5,5,6]CH)(O[5,5]C[3x5,6])(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CH3)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[3x5,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	118.1890	0.000	1	118.1890	0.000	1	117.6970	0.484	2	118.1584	0.350	5	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:2:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:O[5,5]-2:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6]C[5,6]CH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]H)(CCHH){1|C<4>,3|H<1>}	C(C[5,5,6]C[5,6]2O[5,5])(CC[6a]HH)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]C)(C[5,6]C[5,5,6]H)(H){2|C<4>,2|H<1>}	117.2050	0.000	1	117.2050	0.000	1	117.6970	0.484	2	118.1584	0.350	5	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(O[5,6]N[5,6])(CH3){1|C<3>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|N<3>,3|C<4>}	119.5935	0.343	2	119.5935	0.118	2	119.5935	0.118	2	119.5935	0.118	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:2:4:	4:4:3:1:	4:3:1:	C[5,5,6]-4:C[5,6]-3:O[5,6]-2:C-4:	C[5,5,6]-4:C-4:C-3:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(CCO)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]C)(C[5,6]C[5,6]H)(O[5,6]O[5,6])(CCCH){1|O<2>,2|C<4>,2|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH3)(CCO)(H)	C[5,6](C[5,5,6]C[5,5,6]O[5,6]C)(C[5,6]C[5,5,6,6]H)(H){1|O<2>,3|C<4>}	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	119.7910	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(N[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(O[5,6]C[5,5,6])(O)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(N[5,6]C[5,6]H)(CH3){3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(O[5,6]C[5,5,6])(O){1|C<4>,1|O<2>,3|H<1>}	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	116.0850	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-3:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	117.1410	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	4:3:4:	C[3x5,6,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[3x5,6,6]B[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[3x5,6,6]C[3x5,6,6]C[5,5,6]C[5])(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<3>,5|C<4>}	C(C[5,5,6]C[3x5,6,6]B[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[3x5,6,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CH3){2|C<3>,3|C<4>}	115.9090	1.082	2	115.9090	1.170	2	115.9090	1.170	2	117.1168	4.217	5	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:As[5,6]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(As[5,6]P[5,6]P)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]As[5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CH)(As[5,6]P[5,6]P)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|W<6>,2|C<4>}	C(C[5,5,6]As[5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]As[5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,2|C<4>,2|P<4>}	115.2820	0.000	1	115.2820	0.000	1	115.2820	0.000	1	117.1168	4.217	5	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(N[5,6]O[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]C)(N[5,6]O[5,6]C)(CH3){2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]N[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|C<3>,1|O<2>,3|C<4>}	119.2420	0.618	2	119.2420	0.382	2	119.2420	0.382	2	117.1168	4.217	5	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[3x5,6]-4:C[5,6a]-3:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3)	C(C[5,5,6]C[3x5,6]C[5,6a]C[5,6])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5,6a]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,5,6]C)(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6a]C[5,6])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5,6a]C)(C[5,5,6]C[5,6]O[5,5]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	111.4460	0.000	1	111.4460	0.000	1	111.4460	0.000	1	111.4460	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:4:1:1:	4:3:1:	C[5,5,6]-4:S[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(S[5,5]C[5,5,6]O)(C[5,6]C[5,6]H)(CCHH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]S[5,5])(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5,6]S[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.6840	0.000	1	118.6840	0.000	1	118.6840	0.000	1	118.6840	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:4:1:1:	4:3:4:	C[5,5,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]B[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH)	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]B[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH){3|C<4>,5|C<3>}	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|B<3>,1|C<3>,3|C<4>}	113.9310	0.000	1	113.9310	0.000	1	114.3075	0.284	2	115.3597	3.463	3	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:4:1:1:	4:3:4:	C[5,5,6]-4:B[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH)	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(B[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(CCHH){1|B<3>,3|C<3>,4|C<4>}	C(C[5,5,6]C[5,5,6]B[5,5]C[5,6])(CH3)(H)2	C[5,6](C[5,5,6]C[5,5,6]B[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){2|C<3>,3|C<4>}	114.6840	0.000	1	114.6840	0.000	1	114.3075	0.284	2	115.3597	3.463	3	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:4:1:1:	4:3:4:	C[5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH)	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH)	C[5,5,6](C[5,6]C[5,6]SiH)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCHH){1|C<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(CCHH){1|Si<4>,1|C<4>,1|O<1>,2|H<1>}	117.4640	0.000	1	117.4640	0.000	1	117.4640	0.000	1	115.3597	3.463	3	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:3:4:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]O)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.8850	0.000	1	113.8850	0.000	1	113.8850	0.000	1	113.8850	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[3x5,6]O[5,5]O[5,6]C[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]C)(O)	C[5,5,6](C[3x5,6]O[5,5]O[5,6]C[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)(CH3){1|C<4>,5|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,5,6]C[3x5,6]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	117.2260	0.000	1	117.2260	0.000	1	117.2260	0.000	1	114.8986	1.716	5	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O){1|C<3>,3|H<1>,4|C<4>}	114.1300	0.000	1	114.3167	0.031	4	114.3167	0.031	4	114.8986	1.716	5	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,5,6]O)(C[5,6]C[5,6]HH)(CH3){2|O<2>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5,6]O[5]2)(C[5,5,6]C[5,5]C[5,6]C)(O){3|H<1>,5|C<4>}	114.3790	0.154	3	114.3167	0.031	4	114.3167	0.031	4	114.8986	1.716	5	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,5]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6])	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C[6])(C[5,6]C[5,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6]){1|C<4>,1|P<4>,3|C<3>,6|H<1>}	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	121.2880	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:3:4:4:	4:4:3:1:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C[5,6]-4:C-4:	C[5,5,6]-4:C-4:C-3:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH)	C(C[5,5,6]C[5,5,6]C[5,6]2)(CH3)(COO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6,6]O)(C[5,6]C[5,6]HH)(CCCH){1|C<3>,2|C<4>,5|H<1>}	C(C[5,5,6]C[5,5,6]C[5,6]2)(CH3)(COO)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,6,6]C[5,5,6,6]C[6]H)(O){1|C<3>,4|C<4>,4|H<1>}	114.6000	0.000	1	114.6000	0.000	1	114.6000	0.000	1	114.6000	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(O){1|C<3>,2|H<1>,3|C<4>}	114.6595	0.569	81	114.6319	0.350	83	114.6329	0.345	84	114.6329	0.345	84	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(O){2|C<3>,2|C<4>,2|H<1>}	113.8400	0.000	1	114.6319	0.350	83	114.6329	0.345	84	114.6329	0.345	84	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<4>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(O){2|H<1>,4|C<4>}	113.1870	0.000	1	114.6319	0.350	83	114.6329	0.345	84	114.6329	0.345	84	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:O[5,6]-2:O-1:	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(O)	C[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(O[5,6]C[5,5,6])(O){1|C<3>,2|C<4>,3|H<1>}	114.7160	0.000	1	114.7160	0.000	1	114.6329	0.345	84	114.6329	0.345	84	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(CH3)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,6]H)(CH3){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,1|H<1>,4|C<4>}	115.0030	0.000	1	115.0030	0.000	1	115.0030	0.000	1	114.8550	0.528	11	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(O){3|C<4>,3|H<1>}	115.4797	0.287	3	115.4797	0.082	3	114.8402	0.584	10	114.8550	0.528	11	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|N<2>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O){3|C<4>,3|H<1>}	115.0233	0.714	3	114.5661	0.556	7	114.8402	0.584	10	114.8550	0.528	11	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|N<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(O){3|C<4>,3|H<1>}	114.2233	0.638	4	114.5661	0.556	7	114.8402	0.584	10	114.8550	0.528	11	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OCu)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OCu){3|C<4>,3|H<1>}	115.8735	0.453	6	115.8735	0.205	6	115.8109	0.534	12	115.9446	0.585	14	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OIr)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(OIr){3|C<4>,3|H<1>}	116.6100	0.000	1	116.6100	0.000	1	115.8109	0.534	12	115.9446	0.585	14	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(ORu)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(ORu){3|C<4>,3|H<1>}	115.1043	1.057	3	115.1043	1.118	3	115.8109	0.534	12	115.9446	0.585	14	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:O-2:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(OPd)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|P<4>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]P)(OPd){3|C<4>,3|H<1>}	116.2835	0.101	2	116.2835	0.010	2	115.8109	0.534	12	115.9446	0.585	14	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:S-2:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]S)(SAu)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]S)(CH3){1|S<2>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]S)(SAu){3|C<4>,3|H<1>}	116.7470	0.477	2	116.7470	0.227	2	116.7470	0.227	2	115.9446	0.585	14	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Pd)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|N<3>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]N)(NC[6a]Pd){3|C<4>,3|H<1>}	118.2680	0.000	1	118.2680	0.000	1	118.2680	0.000	1	118.2680	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.0360	0.000	1	118.0360	0.000	1	116.4506	1.148	7	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>,3|H<1>}	115.2740	0.000	1	115.2740	0.000	1	116.4506	1.148	7	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	116.7627	0.348	3	116.7627	0.121	3	116.4506	1.148	7	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	115.7780	1.246	2	115.7780	1.552	2	116.4506	1.148	7	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){2|H<1>,4|C<4>}	117.1672	0.300	8	117.1672	0.090	8	117.2685	1.077	19	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HN)(C[5,6]C[5,6]C)(CH3){2|C<4>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|H<1>,1|N<3>,4|C<4>}	117.9485	0.607	8	117.9485	0.369	8	117.2685	1.077	19	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,5|H<1>}	117.5090	0.000	1	117.5090	0.000	1	117.2685	1.077	19	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3)	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<3>,1|C<4>,1|H<1>,1|S<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]C[6a])(CH3){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	114.3470	0.000	1	114.3470	0.000	1	117.2685	1.077	19	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]H)(CH3)	C[5,5,6](C[5,5]P[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]C)(CH3){1|C<4>,1|S<1>,2|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]P[5,5,6]H)(CH3){1|S<1>,2|C<4>,3|H<1>}	115.3190	0.000	1	115.3190	0.000	1	117.2685	1.077	19	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:P-4:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(PC[6a]2B)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]P)(CH3){4|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(PC[6a]2B){3|C<4>,3|H<1>}	117.7170	0.000	1	117.7170	0.000	1	117.7170	0.000	1	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:P[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]CH)(P[5,6]As[5,6]HW)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]P[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3)	C[5,5,6](C[5,5]C[5,5,6]CH)(P[5,6]As[5,6]HW)(C[5,6]C[5,6]C)(CH3){1|P<4>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]P[5,6])(H)3	C[5,6](C[5,5,6]C[5,5]P[5,6]C)(C[5,6]C[5,5,6]C)(CH3){1|As<3>,1|W<6>,2|C<4>,2|H<1>}	117.1110	0.000	1	117.1110	0.000	1	117.1110	0.000	1	117.0744	1.116	28	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,3x6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3)	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]C)(O)	C[5,5,6](C[3x5,6]C[5,5,6,6]C[3x5,6]H)(C[5,6]C[5,5,6,6]HH)(C[5,6]C[5,3x6]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	C[5,6](C[5,3x6]C[5,5,6,6]C[5,3x6]H)(C[5,5,6]C[3x5,6]C[5,6]C)(O){1|O<2>,4|C<4>,4|H<1>}	114.3477	0.362	3	114.3477	0.131	3	114.3477	0.131	3	114.7905	0.439	20	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6]C[3x5,6]C[6]C)(O)	C[5,5,6](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5,6]C[6]O[5]C)(C[5,6]C[5,6]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6]C[3x5,6]C[6]C)(O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	115.1470	0.000	1	115.1470	0.000	1	115.1470	0.000	1	114.7905	0.439	20	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]Cl)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]O)(CH3){2|Cl<1>,2|C<3>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(H)3	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]HH)(O){1|Cl<1>,1|C<3>,1|C<4>,3|H<1>}	114.1020	0.000	1	114.1020	0.000	1	114.1020	0.000	1	114.7905	0.439	20	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]BrH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|Br<1>,4|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]BrH)(O){3|C<4>,3|H<1>}	114.8935	0.049	2	114.8935	0.002	2	114.9011	0.479	15	114.7905	0.439	20	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){1|C<3>,4|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CH)(O){3|C<4>,3|H<1>}	114.7615	0.060	2	114.7615	0.004	2	114.9011	0.479	15	114.7905	0.439	20	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	113.9743	0.551	3	113.9743	0.304	3	114.9011	0.479	15	114.7905	0.439	20	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HO)(C[5,6]C[5,6]O)(CH3){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){1|O<2>,2|H<1>,3|C<4>}	114.9008	0.515	4	114.9008	0.265	4	114.9011	0.479	15	114.7905	0.439	20	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O){2|C<4>,4|H<1>}	115.7673	0.317	3	115.7673	0.101	3	114.9011	0.479	15	114.7905	0.439	20	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O){1|C<4>,5|H<1>}	115.3790	0.000	1	115.3790	0.000	1	114.9011	0.479	15	114.7905	0.439	20	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-2:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(CH3){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(CC){3|C<4>,3|H<1>}	115.2240	0.000	1	115.2240	0.000	1	115.2240	0.000	1	115.1474	1.195	18	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-2:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NN){3|C<4>,3|H<1>}	115.5311	0.615	14	115.5311	0.378	14	115.3400	0.650	16	115.1474	1.195	18	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-2:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NO)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NO){3|C<4>,3|H<1>}	113.3920	0.000	1	113.3920	0.000	1	115.3400	0.650	16	115.1474	1.195	18	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-2:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HP)(NN)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|P<4>,4|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HP)(NN){3|C<4>,3|H<1>}	114.6120	0.000	1	114.6120	0.000	1	115.3400	0.650	16	115.1474	1.195	18	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5])	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CH3){1|C<3>,1|C<4>,7|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5]){3|H<1>,4|C<4>}	111.9900	0.000	1	111.9900	0.000	1	111.9900	0.000	1	115.1474	1.195	18	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCuC)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NCuC){3|C<4>,3|H<1>}	116.9380	0.000	1	116.9380	0.000	1	117.4273	2.047	4	117.4273	2.047	4	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NZnC)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(NZnC){3|C<4>,3|H<1>}	116.6865	0.960	2	116.6865	0.921	2	117.4273	2.047	4	117.4273	2.047	4	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N-3:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3)	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HP)(NNW)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]N)(CH3){1|P<4>,4|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HP)(NNW){3|C<4>,3|H<1>}	119.3980	0.000	1	119.3980	0.000	1	117.4273	2.047	4	117.4273	2.047	4	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:3:1:1:	4:3:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCHH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(CBrC)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCHH){1|O<1>,2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(CBrC)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.0800	0.000	1	117.0800	0.000	1	117.0800	0.000	1	117.3455	0.141	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:3:1:1:	4:3:1:	C[5,6,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[6a]-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CC[6a]HH)	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[6]C)(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(CC[6a]HH){1|O<1>,2|C<3>,3|H<1>}	C(C[5,5,6]C[5,6,6]C[5,5]C[5,6])(C[6a]C[6a]2)(H)2	C[5,6](C[5,5,6]C[5,6,6]C[5,5]C)(C[5,6]C[5,5,6]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.6110	0.000	1	117.6110	0.000	1	117.6110	0.000	1	117.3455	0.141	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:3:1:1:	4:3:4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]CH)(C[5,6]C[5,6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCC)(H)2	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]H)(CH3){1|C<3>,2|C<4>,3|H<1>}	119.1380	0.199	2	119.1380	0.040	2	119.1380	0.040	2	119.1380	0.040	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:3:1:1:	4:4:2:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[6]-4:N[5]-2:	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CCHH)	C(C[5,5,6]C[5,5]C[5,6]2)(CCH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5])	C[5,5,6](C[5,5]C[5]O[5]O)(C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5])(CCHH){1|O<2>,2|C<4>,6|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(CCH)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6]HH)(N[5]O[5]){1|O<2>,2|H<1>,4|C<4>}	113.3455	0.424	2	113.3455	0.179	2	113.3455	0.179	2	113.3455	0.179	2	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:3:3:2:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C[6a]-3:C[6a]-3:O-2:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CC[6a]2O)	C(C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]2)2(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CC[6a]2O){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(C[6a]C[6a]2)2(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	113.3660	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	C(C[5,5,6]C[5,5]C[5,6]2)(SNOO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(SNOO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	112.8620	4.097	7	112.8620	16.784	7	112.1690	8.117	90	112.1690	8.117	90	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5]OO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5]OO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	114.0390	0.000	2	114.0390	0.000	2	112.1690	8.117	90	112.1690	8.117	90	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5a]OO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(SN[5a]OO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	112.2560	0.000	1	112.2560	0.000	1	112.1690	8.117	90	112.1690	8.117	90	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	C(C[5,5,6]C[5,5]C[5,6]2)(SN[6]OO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(SN[6]OO)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	112.8997	1.081	3	112.8997	1.167	3	112.1690	8.117	90	112.1690	8.117	90	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:S-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS)	C(C[5,5,6]C[5,5]C[5,6]2)(SO3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O)	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]O)(CHHS){5|H<1>}	C(C[5,5,6]C[5,5]C[5,6]2)(SO3)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(O){3|C<4>,3|H<1>}	112.0278	2.823	77	112.0278	7.972	77	112.1690	8.117	90	112.1690	8.117	90	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CCHH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CCHH){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	116.3485	2.132	2	116.3485	4.545	2	117.1540	3.744	5	118.3132	4.703	9	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]2C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,2|C<4>,3|H<1>}	115.7360	0.000	1	115.7360	0.000	1	117.1540	3.744	5	118.3132	4.703	9	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6]C[5]2)(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.7940	0.000	1	119.7940	0.000	1	117.1540	3.744	5	118.3132	4.703	9	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,5]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(C[5,6]C[5,6]C)(CCCH){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	C(C[5,5,6]C[5,5,6]C[5,5]C[5,6])(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5,6]C[5,5]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	117.5430	0.000	1	117.5430	0.000	1	117.1540	3.744	5	118.3132	4.703	9	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:4:1:	4:3:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HH){1|C<4>,1|O<2>,4|H<1>}	120.5240	0.533	3	120.5240	0.284	3	119.7622	2.511	4	118.3132	4.703	9	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:4:1:	4:3:4:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH)	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO)	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]C)(CCCH){1|C<3>,1|H<1>,2|C<4>}	C(C[5,5,6]C[5,5]C[5,6]2)(CC[5]HH)(CH3)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]C)(CC[5]HO){1|C<4>,1|O<2>,4|H<1>}	117.4770	0.000	1	117.4770	0.000	1	119.7622	2.511	4	118.3132	4.703	9	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5,6]	4:4:3:4:	4:4:4:2:	4:3:1:	C[5,5]-4:C[5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:C-4:C-4:O-2:	C[5,5,6]-4:C[5,6]-3:H-1:	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCCO)	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(H)	C[5,5,6](C[5,5]C[5,5,6]C[5]H)(C[5,6]C[5,5,6]HH)(C[5,6]C[5,6]H)(CCCO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5,5,6]C[5,5]C[5,6]2)(CCHH)(CH3)(OH)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]H)(H){3|C<4>,3|H<1>}	115.0500	0.000	1	115.0500	0.000	1	115.0500	0.000	1	115.0500	0.000	1	115.2524	7.358	408	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	3:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2C)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6a]O)(CH3){3|C<3>,4|H<1>}	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2C)(O){2|C<4>,3|C<3>,3|H<1>}	108.6375	0.153	2	108.6375	0.024	2	108.6375	0.024	2	108.6375	0.024	2	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:F-1:F-1:F-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CF3)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(F)3	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(O[5]C[5,5,6])(O)	C[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CF3){1|C<4>,4|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(F)3	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(O[5]C[5,5,6])(O){3|C<4>,4|H<1>}	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	111.9640	0.000	1	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(CH3)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]C)(C[5]C[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(O){2|C<3>,4|C<4>}	108.5230	0.000	1	108.5230	0.000	1	108.5230	0.000	1	108.9603	0.340	3	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|H<1>}	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	108.7360	0.000	1	108.7360	0.000	1	109.1790	0.392	2	108.9603	0.340	3	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|H<1>}	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	109.6220	0.000	1	109.6220	0.000	1	109.1790	0.392	2	108.9603	0.340	3	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]P[5]H)(CH3)	C[5,5,6](C[5,5,6]C[5,5,6]P[5]H)(C[5,5,6]C[5,6]P[5,5]H)(C[5]C[5]C)(CH3){1|Pt<4>,1|C<4>,2|H<1>,3|C<3>}	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[5,5,6]C[5,5,6]2C)(C[5]P[5]H)(CH3){1|Pt<4>,1|C<4>,1|P<4>,2|C<3>,2|H<1>}	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(CH3)	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]2C)(O)	C[5,5,6](C[5,5,6]C[3,5,6]C[5,5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[3,5,6]O)(CH3){1|O<2>,3|C<3>,4|H<1>}	C(C[5,5,6]C[5,5,6]2C[5])(H)3	C[5](C[3,5,6]C[3,5,6]C[6]O[3])(C[5,5,6]C[5,5,6]2C)(O){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:2:1:1:	4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:N[5]-3:O-1:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CHHO)	C(C[5,5,6]C[5,5,6]2C[5])(OH)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,6]O[5,5]H)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,4|H<1>}	C(C[5,5,6]C[5,5,6]2C[5])(OH)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(N[5]C[5]H)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:3:1:1:	4:2:1:	C[3x5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:O[5]-2:O-1:	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CCHH)	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(COO)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(O[5]C[5])(O)	C[5,5,6](C[3x5,6]C[5,6]O[5,5]C[5])(C[5,6]C[5,5,6]HH)(C[5]O[5]O)(CCHH){1|C<3>,4|H<1>}	C(C[5,5,6]C[3x5,6]C[5,6]C[5])(COO)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	111.9130	0.000	1	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:3:1:1:	4:3:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCHH)	C(C[5,5,6]C[5,5,6]2C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]C)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCHH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C(C[5,5,6]C[5,5,6]2C[5])(CCC)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	113.5620	0.000	1	113.5620	0.000	1	113.5620	0.000	1	113.5620	0.000	1	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	C(C[5,5,6]C[5,5,6]2C[5])(CCH)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,2|C<4>,6|H<1>}	C(C[5,5,6]C[5,5,6]2C[5])(CCH)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5,5,6]C[5,5,6]2H)(O){2|C<3>,4|C<4>,4|H<1>}	112.1365	0.223	2	112.1365	0.050	2	111.3837	0.943	4	111.3837	0.943	4	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:3:1:1:	4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,5,6]-4:O-1:	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH)	C(C[5,5,6]C[5,5,6]2C[5])(CCH)(H)2	C[5](C[5,5,6]C[5,5,6]2C)2(O)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,5,6]C[5,5,6]2H)(C[5]C[5,5,6]O)(CCHH){1|C<3>,3|C<4>,5|H<1>}	C(C[5,5,6]C[5,5,6]2C[5])(CCH)(H)2	C[5](C[5,5,6]C[5,5,6]2C)2(O){2|C<3>,4|C<4>,4|H<1>}	110.6310	0.716	2	110.6310	0.512	2	111.3837	0.943	4	111.3837	0.943	4	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:3:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6](C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]B[5]C)(C[5]C[5]C)(CCHH)	C(C[5,5,6]C[5,5,6]2C[5])(CH3)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH)	C[5,5,6](C[5,5,6]B[5,5]C[5,6]C)(C[5,5,6]C[5,5,6]B[5]C)(C[5]C[5]C)(CCHH){3|C<3>,3|C<4>}	C(C[5,5,6]C[5,5,6]2C[5])(CH3)(H)2	C[5](C[5,5,6]C[5,5,6]2C)(C[5]B[5]C)(CCHH){1|B<3>,2|C<3>,3|C<4>}	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	112.2540	0.000	1	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH)	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.5870	1.570	2	112.2377	2.502	3	112.2377	2.502	3	112.2377	2.502	3	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5,6]	C	C[5]	4:4:3:4:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C-4:C-4:H-1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH)	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]C)(CCCH){1|C<3>,2|O<1>,3|C<4>}	C(C[5,5,6]C[5,5,6]2C[5])(CCHH)(CH3)(H)	C[5](C[5,5,6]C[5,5,6]2C)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	113.5390	0.000	1	112.2377	2.502	3	112.2377	2.502	3	112.2377	2.502	3	110.7579	3.122	19	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5,6]	4:3:4:4:	4:1:1:1:	4:4:4:	C[5,5,6]-4:C[5,5,6]-3:C-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:C[5,6]-4:	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2)(CH3)2	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2	C[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2)(CH3)2{1|C<4>,1|O<2>,6|H<1>}	C(C[5,5]C[5,5,6]2C)(H)3	C[5,5,6](C[5,5]C[5,5,6]CC)(C[5,6]C[5,6]HH)2{1|O<2>,2|C<4>,2|H<1>}	113.9040	1.386	2	113.9040	1.921	2	113.9040	1.921	2	113.9040	1.921	2	113.9040	1.921	2	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,5]-3:As[5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:Si[5]-4:C[5]-3:	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]As[5]C[5])(H)3	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C)	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3){5|C<4>}	C(C[5,5]C[5,5]As[5]C[5])(H)3	C[5,5](C[5,5]As[5]C[5]C)(Si[5]N[5]CC)(C[5]C[5]C){1|Cl<1>,3|C<4>}	113.9700	0.000	2	113.9700	0.000	2	113.9700	0.000	2	113.9700	0.000	2	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	3:3:3:4:	4:3:4:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH){2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]){2|H<1>,6|C<3>}	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	107.2250	0.000	1	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3){1|H<1>,5|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a]){3|H<1>,6|C<3>}	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	110.8120	0.000	1	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	3:3:4:4:	4:4:4:1:	4:3:4:	C[5,6a]-3:C[5,5]-3:C[5]-4:C-4:	C[5,5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2)(C[5]C[5]CC)(CCCH){4|C<3>,4|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)2(H)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]C[6a])(C[5]C[5]HH){1|H<1>,2|C<4>,5|C<3>}	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]Si[5]C[5])(H)3	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C)	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	C(C[5,5]C[5,5]Si[5]C[5])(H)3	C[5,5](C[5,5]Si[5]C[5]C)(P[5]N[5]Cl)(C[5]C[5]C){5|C<4>}	117.2190	0.000	2	117.2190	0.000	2	117.2190	0.000	2	117.2190	0.000	2	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	N[5]-3:C[5,5]-4:B[5]-3:	C[5,5](C[5,5]B[5]N[5])(C[5]B[5]HH)(C[5]C[5]HH)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2C)(B[5]B[5]C[5])	C[5,5](C[5,5]B[5]N[5])(C[5]B[5]HH)(C[5]C[5]HH)(CH3){2|C<3>,3|C<4>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2C)(B[5]B[5]C[5]){2|C<3>,2|N<3>,3|C<4>,4|H<1>}	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(CH3){2|H<1>,3|C<3>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]O[5]HH){4|C<3>,4|H<1>}	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	110.9130	0.000	1	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,5]-3:C[5]-4:C[5]-4:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(CCHH){1|C<3>,1|C<4>,1|S<4>,3|H<1>}	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]N[5]HH){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	113.6895	0.142	2	113.6895	0.020	2	113.6895	0.020	2	113.6895	0.020	2	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5]-3:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a])(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){3|C<3>,3|C<4>}	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a])(C[5]C[5]C){3|C<4>,4|C<3>}	111.3170	1.905	2	111.3170	3.629	2	111.3170	3.629	2	111.3170	3.629	2	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	4:3:3:4:	4:1:1:1:	4:4:3:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]S)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|S<1>,3|C<3>,3|C<4>}	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]S)(C[5]C[5]C){3|C<4>,4|C<3>}	112.8870	0.117	2	112.8870	0.014	2	112.4005	1.429	8	112.4005	1.429	8	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	4:3:3:4:	4:1:1:1:	4:4:3:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Se)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,3|C<3>,3|C<4>}	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Se)(C[5]C[5]C){3|C<4>,4|C<3>}	112.7310	0.078	2	112.7310	0.006	2	112.4005	1.429	8	112.4005	1.429	8	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,5]	4:3:3:4:	4:1:1:1:	4:4:3:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:P[5]-4:C[5]-3:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Ta)(C[5]C[5]C)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,3|C<3>,3|C<4>}	C(C[5,5]C[5,5]2C[5])(H)3	C[5,5](C[5,5]C[5,5]C[5]C)(P[5]C[5,5]C[6a]Ta)(C[5]C[5]C){3|C<4>,4|C<3>}	111.9920	1.695	4	111.9920	2.874	4	112.4005	1.429	8	112.4005	1.429	8	112.3354	5.576	22	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:C[6]-4:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH)	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,5]N[5]O[5]H)(CC[6]HH){1|C<4>,2|H<1>,3|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5,6])(C[6]C[6]N[6]H)(H)2	C[5,6](C[5,5]C[5,6a]C[5,5]C)(C[5,6]C[6]N[5])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	116.4440	0.000	1	116.4440	0.000	1	116.4440	0.000	1	116.4440	0.000	1	112.2347	14.712	3	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,6]-3:C[5,5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-3:C[6]-4:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(CH3)	C(C[5,5]C[5,5]2C[5,6])(H)3	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(CH3){1|O<1>,1|O<2>,3|C<4>,7|H<1>}	C(C[5,5]C[5,5]2C[5,6])(H)3	C[5,6](C[5,5]C[5,5]2C)(C[5,6]C[5]O[6])(C[6]C[6]HH){1|O<1>,3|H<1>,5|C<4>}	110.1300	1.687	2	110.1300	2.846	2	110.1300	2.846	2	110.1300	2.846	2	112.2347	14.712	3	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:2:	N[5,5]-3:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-2:	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3)	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]H)(OC)	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|H<1>}	C(C[5,5]N[5,5]C[5]O[5])(H)3	C[5](C[5,5]N[5,5]O[5]C)(C[5]C[5]H)(OC){1|O<1>,2|C<4>}	112.6380	0.000	1	112.6380	0.000	1	112.6380	0.000	1	112.6380	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:3:2:4:	4:4:4:1:	4:3:1:	N[5,5]-3:C[5]-3:N[5]-2:C-4:	C[5,5]-4:C-4:C-4:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH)	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	C[5](C[5,5]N[5,5]N[5]C)(N[5]C[5]C)(O)	C[5,5](N[5,5]C[5]N[5])(C[5]N[5]O)(N[5]C[5])(CCCH){1|C<4>,1|O<1>,2|C<3>}	C(C[5,5]N[5,5]C[5]N[5])(CH3)2(H)	C[5](C[5,5]N[5,5]N[5]C)(N[5]C[5]C)(O){1|C<3>,1|N<3>,1|O<1>}	110.8930	0.000	1	110.8930	0.000	1	110.8930	0.000	1	110.8930	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6a]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3)	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]C)(CH3){1|N<3>,1|O<1>,4|C<3>}	C(C[5,5]C[5,6a]N[5,5]C[5])(H)3	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5,6a]C[5,6a]C[6a])(CHH){1|H<1>,5|C<3>}	109.2897	0.363	4	109.2897	0.132	4	109.2897	0.132	4	109.2897	0.132	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,5]-3:As[5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]As[5]C[5])(H)3	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]Si[5]C[5])(As[5]N[5]Cl)(C[5]C[5]C)(CH3){5|C<4>}	C(C[5,5]C[5,5]As[5]C[5])(H)3	C[5](C[5,5]C[5,5]As[5]C)(C[5]C[5]C)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>}	112.4990	0.000	2	112.4990	0.000	2	112.4990	0.000	2	112.4990	0.000	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5,5,6a]-3:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,5]C[5,5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5,6a]C[5,6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	104.0275	0.063	2	104.0275	0.004	2	104.0275	0.004	2	104.0275	0.004	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:3:3:4:	4:3:4:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:C-4:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CC[6a]CH){2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	107.7030	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5])(C[5]C[6a]C[5])(CCHH){2|H<1>,6|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CBrHH)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(C[5]C[5]H){2|H<1>,6|C<3>}	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:3:3:4:	4:4:4:1:	4:4:3:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	C[5,5]-4:C-4:C-4:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH)	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]CH)(CSiC)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C(C[5,5]C[5,6a]N[5,5]C[5])(CH3)2(H)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]CH)(CSiC){1|S<4>,2|C<3>,2|H<1>}	114.8895	0.520	2	114.8895	0.270	2	114.8895	0.270	2	114.8895	0.270	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:3:4:4:	4:3:1:1:	3:4:1:	N[5,5]-3:C[5]-3:C[5]-4:C-4:	C[5,5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5,5]-4:O-1:	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)(CHHN)	C(C[5,5]N[5,5]C[5]2)(NCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(O)	C[5,5](N[5,5]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)(CHHN){1|C<4>,1|H<1>,2|C<3>}	C(C[5,5]N[5,5]C[5]2)(NCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	109.0280	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O){1|N<3>,2|H<1>,4|C<3>}	111.9480	0.348	2	111.9480	0.121	2	111.9480	0.121	2	110.9170	1.841	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]H)(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]O)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[5,5]C[5,6a]C[5,5]C[5])(H)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]H)(O){1|N<3>,2|C<3>,2|O<2>}	110.6440	0.000	1	110.6440	0.000	1	110.6440	0.000	1	110.9170	1.841	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	N[5,5]-3:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]N[5]O)(CH3)	C(C[5,5]N[5,5]C[5]2)(H)3	C[5](C[5,5]N[5,5]C[5]C)(N[5]C[6a]C[5])(O)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5,5]N[5,5]C[5]2)(H)3	C[5](C[5,5]N[5,5]C[5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	109.1280	0.000	1	109.1280	0.000	1	109.1280	0.000	1	110.9170	1.841	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3){1|C<4>,5|C<3>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	120.1185	0.196	2	120.1185	0.038	2	120.1185	0.038	2	120.1185	0.038	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:4:	C[5,5]-3:Si[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]Si[5]C[5])(H)3	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5])(Si[5]N[5]CC)(C[5]C[5]C)(CH3){1|Cl<1>,3|C<4>}	C(C[5,5]C[5,5]Si[5]C[5])(H)3	C[5](C[5,5]C[5,5]Si[5]C)(C[5]C[5]C)(CH3){1|N<3>,1|P<3>,3|C<4>}	114.5340	0.000	2	114.5340	0.000	2	114.5340	0.000	2	117.6845	13.238	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CH3){1|C<4>,5|C<3>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CH3){1|C<4>,6|C<3>}	120.8350	0.113	2	120.8350	0.013	2	120.8350	0.013	2	117.6845	13.238	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5a]-3:H-1:H-1:	C[5,5]-4:C[5,6a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(C[5]C[5,6a]O)(CC[5a]HH){1|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	113.1400	0.000	1	113.1400	0.000	1	113.1400	0.000	1	112.9605	0.064	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:C[5,5a]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH)	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5,5a]N[5]H)(C[5]C[5,5a]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5,5a]N[5,5a]C[5a])(O){1|N<3>,2|H<1>,4|C<3>}	112.7810	0.000	1	112.7810	0.000	1	112.7810	0.000	1	112.9605	0.064	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH)	C(C[5,5]C[5,6a]C[5,5]C[5])(COO)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(CC[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]C)(CCHH){1|H<1>,2|C<4>,4|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(COO)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]C)(CC[6a]2){1|H<1>,2|C<4>,3|C<3>}	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	109.3540	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:3:4:1:	4:2:1:	N[5,5]-3:C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CN[5]CH)	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CN[5]CH){1|C<4>,5|H<1>}	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	C[5](C[5,5]N[5,5]C[5]C)(O[5]C[5])(O){3|C<4>,3|H<1>}	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	118.3750	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[6a]C[5])(O)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]O)(C[5]N[5]O)(CCHH){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)(H)2	C[5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[6a]C[5])(O){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	110.3755	1.158	4	110.3755	1.342	4	110.3755	1.342	4	109.7354	3.055	5	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:4:1:1:	4:3:1:	N[5,5]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(CCHH)	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	C[5](C[5,5]C[5,5]N[5,5]C)(N[5]C[6a]C[5])(O)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]O)(CCHH){1|C<4>,1|S<2>,2|C<3>,2|O<1>}	C(C[5,5]C[5,5]N[5,5]C[5])(CCCH)(H)2	C[5](C[5,5]C[5,5]N[5,5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,5|C<3>}	107.1750	0.000	1	107.1750	0.000	1	107.1750	0.000	1	109.7354	3.055	5	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:4:1:1:	4:3:3:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH)	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH){1|C<4>,5|C<3>}	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,3|C<4>,6|C<3>}	118.9340	3.909	2	118.9340	15.279	2	118.9340	15.279	2	118.9340	15.279	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:4:1:1:	4:3:4:	C[5]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH)	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH)	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2C)(C[5]C[5]C)(CCHH){1|C<4>,5|C<3>}	C(C[5,5]C[5,5]C[5]2)(CH3)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(CCHH){1|C<4>,6|C<3>}	117.9215	2.873	2	117.9215	8.254	2	117.9215	8.254	2	117.9215	8.254	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	3:4:3:4:	4:4:4:4:	4:3:2:	C[5,6a]-3:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3)	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]O)(CN)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]O[5]H)(C[5]C[5]C)(CC3){1|H<1>,1|O<2>,3|C<3>}	C(C[5,5]C[5,6a]C[5,5]C[5])(CH3)3	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]O[5]O)(CN){1|H<1>,1|N<3>,2|C<3>}	116.1010	0.000	1	116.1010	0.000	1	116.1010	0.000	1	116.1010	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|W<6>,3|C<4>}	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	112.6340	0.000	1	113.5093	0.402	4	113.5093	0.402	4	113.5093	0.402	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Cr<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	113.4590	0.000	1	113.5093	0.402	4	113.5093	0.402	4	113.5093	0.402	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:4:	C[5,5,6]-4:O[5]-2:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3)	C[5,5](C[5,5,6]C[5,6]2C)(O[5]P[5,6])(C[5]C[5]C)(CH3){1|Mo<6>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5,5]C[5,5,6]C[5]O[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]C)(C[5]C[5,6]C)(CH3){1|P<4>,4|C<4>}	113.9720	0.098	2	113.5093	0.402	4	113.5093	0.402	4	113.5093	0.402	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(N[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(N[5]C[5])(CH3){1|H<1>,2|C<4>}	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	113.0930	1.462	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	113.9480	0.000	1	113.9480	0.000	1	113.9480	0.000	1	113.0930	1.462	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[6a]-3:C[5]-3:	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[6a]C[5])(O[5]C[5,6a])(CH3){1|H<1>,1|O<1>,6|C<3>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|O<1>,2|H<1>,5|C<3>}	112.3630	0.000	1	112.3630	0.000	1	112.3630	0.000	1	112.3630	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|F<1>,1|W<6>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	112.4440	0.000	1	113.0957	0.440	3	113.0957	0.440	3	113.0957	0.440	3	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Cr<6>,1|C<3>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	113.7700	0.000	1	113.0957	0.440	3	113.0957	0.440	3	113.0957	0.440	3	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]P[5]C)(C[5]C[5]C)(O[5]C[5])(CH3){1|Cl<1>,1|Mo<6>,1|C<3>,2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(H)3	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]C)(CH3){1|H<1>,1|P<4>,3|C<4>}	113.0730	0.000	1	113.0957	0.440	3	113.0957	0.440	3	113.0957	0.440	3	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:2:1:1:	4:2:1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2O)(C[5]O[5]O)(O[5]C[5])(CHHO){1|O<2>,5|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	109.7560	0.000	1	109.7560	0.000	1	109.7272	1.492	5	109.7272	1.492	5	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:2:1:1:	4:2:1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(OC)(H)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	110.1290	0.259	2	110.1290	0.067	2	109.7272	1.492	5	109.7272	1.492	5	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:2:1:1:	4:2:1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(OH)(H)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	110.9280	0.000	1	110.9280	0.000	1	109.7272	1.492	5	109.7272	1.492	5	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:2:1:1:	4:2:1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]O)(O[5]C[5])(CHHO){1|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	C[5](C[5,5]C[5,5]O[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>,2|H<1>}	107.6940	0.000	1	107.6940	0.000	1	109.7272	1.492	5	109.7272	1.492	5	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:2:2:1:	4:3:2:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:O-2:C-2:H-1:	C[5,5]-4:C[5]-3:C-2:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO)	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CC)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C)(O[5]C[5])(CCHO){2|C<4>,3|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(OC[6a])(CC)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CC){1|C<4>,1|O<2>,3|H<1>}	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	114.9930	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:3:1:1:	4:4:3:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[6]-4:C[5]-3:	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(CCC)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]C[6])(O[5]C[5])(CCHH){1|O<2>,2|H<1>,5|C<4>}	C(C[5,5]C[5,5]C[5]O[5])(CCC)(H)2	C[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2O)(C[5]C[5]H){1|C<3>,1|O<2>,4|H<1>,5|C<4>}	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:4:1:1:	4:2:1:	C[5,5]-4:C[5]-3:N[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH)	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]O)(N[5]N[5])(CCHH){1|C<4>,3|H<1>}	C(C[5,5]C[5,5]C[5]N[5])(CCHH)(H)2	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O){1|N<2>,2|C<4>,2|H<1>}	115.2820	0.000	1	115.2820	0.000	1	115.2820	0.000	1	115.2820	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:4:1:1:	4:3:1:	C[3x5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	C[5](C[5,5]C[3x5]O[5]C)(C[5]C[5,5]C)(H)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,5]C[3x5]C[5]O[5])(CCHH)(H)2	C[5](C[5,5]C[3x5]O[5]C)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	113.2980	0.000	1	113.2980	0.000	1	113.2980	0.000	1	113.2980	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:2:4:	4:4:4:4:	4:3:1:	C[5,5]-4:C[5]-3:O[5]-2:C-4:	C[5,5]-4:C-4:C-4:C-4:	C[5,5]-4:S[5]-3:H-1:	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]H)(O[5]S[5])(CC3)	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5]O)(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]S[5]H)(O[5]S[5])(CC3){1|O<1>,1|S<1>,2|H<1>}	C(C[5,5]C[5,5]C[5]O[5])(CH3)3	C[5](C[5,5]C[5,5]O[5]C)(S[5]C[5]O)(H){1|C<4>,1|O<2>,1|S<3>,2|H<1>}	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	110.7990	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5a]-3:C[5,5]-4:O-1:	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O)	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5a]C[5a,6a]C[5,5a])(C[5,5]C[5,5]C[5]C)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	110.4610	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|N<2>,2|C<3>,3|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O){1|O<1>,2|C<4>,3|H<1>}	109.3460	0.000	1	109.3460	0.000	1	109.3460	0.000	1	108.7985	0.600	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:2:1:	C[5,5]-4:N[5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5,5]C[5]C)(N[5]C[5,5]C)(C[5]O[5]O)(CH3)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5,5]C[5]C)(N[5]C[5,5]C)(C[5]O[5]O)(CH3){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5](C[5,5]C[5,5]N[5]C)(O[5]C[5])(O){1|C<3>,1|O<1>,3|C<4>}	108.2510	0.000	1	108.2510	0.000	1	108.2510	0.000	1	108.7985	0.600	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:N[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(N[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(N[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	111.1600	0.000	1	111.1600	0.000	1	111.1600	0.000	1	110.6397	0.357	3	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:N[5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(O)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]H)(C[5]C[5]O)(CH3){1|H<1>,3|C<3>}	C(C[5,5]C[5,5]C[5]N[5])(H)3	C[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]H)(O){2|H<1>,3|C<3>}	110.3795	0.555	2	110.3795	0.308	2	110.3795	0.308	2	110.6397	0.357	3	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C[6a]-3:	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|W<6>,4|C<3>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,1|P<4>,3|H<1>,5|C<3>}	112.5190	0.000	1	112.5190	0.000	1	112.5190	0.000	1	112.5190	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]2C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|S<1>,3|C<3>,3|C<4>}	C(C[5,5]C[5,5]2C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	109.9880	1.344	2	109.6943	0.517	10	109.6943	0.517	10	110.0226	1.012	12	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]2C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Se<1>,3|C<3>,3|C<4>}	C(C[5,5]C[5,5]2C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	109.9260	1.179	2	109.6943	0.517	10	109.6943	0.517	10	110.0226	1.012	12	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]2C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){1|Ta<10>,3|C<3>,3|C<4>}	C(C[5,5]C[5,5]2C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<4>,2|C<3>,2|C<4>}	109.5192	0.575	4	109.6943	0.517	10	109.6943	0.517	10	110.0226	1.012	12	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]2C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]P[5])(C[5]C[5]C)(CH3){3|C<3>,3|C<4>}	C(C[5,5]C[5,5]2C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]C)(CH3){1|P<3>,2|C<3>,2|C<4>}	109.5190	0.041	2	109.6943	0.517	10	109.6943	0.517	10	110.0226	1.012	12	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3)	C[5,5](C[5,5]C[5]P[5]H)(C[5]C[6a]C[5])(C[5]C[5]C)(CH3){1|H<1>,1|O<1>,1|W<6>,4|C<3>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]P[5]H)(CH3){1|H<1>,1|W<6>,4|C<3>}	111.7180	0.000	1	111.7180	0.000	1	111.7180	0.000	1	110.0226	1.012	12	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5]-4:B[5,5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5]C[6a]2C[5])(B[5,5]C[5]O[5])(C[5]C[5]C)(CH3)	C(C[5,5]B[5,5]C[5]2)(H)3	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5]C[6a]2C[5])(B[5,5]C[5]O[5])(C[5]C[5]C)(CH3){2|C<4>,2|H<1>,5|C<3>}	C(C[5,5]B[5,5]C[5]2)(H)3	C[5](C[5,5]B[5,5]C[5]C)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,3|C<3>}	111.6100	0.000	1	111.6100	0.000	1	111.6100	0.000	1	110.0226	1.012	12	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,5]-4:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2N[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5,5]O)(C[5]O[5]O)(CH3){1|N<2>,2|C<3>,3|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5,5]C[5]2N[5])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	110.4460	0.000	1	110.4460	0.000	1	110.4460	0.000	1	111.2795	1.389	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5,5a]C[5]H)(C[5]C[5,5a]O)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|O<1>,2|C<3>,3|H<1>}	112.1130	0.000	1	112.1130	0.000	1	112.1130	0.000	1	111.2795	1.389	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:3:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH)	C(C[5,5]C[5,5]C[5]2)(CCH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]2)(CCH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(O){1|O<1>,5|C<4>}	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	106.5190	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:3:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH)	C(C[5,5]C[5,5]C[5]2)(CCH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]O)2(CCHH){2|C<3>,2|H<1>,3|C<4>}	C(C[5,5]C[5,5]C[5]2)(CCH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.8080	0.000	1	112.8080	0.000	1	110.5507	8.907	3	110.5507	8.907	3	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:3:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)2(CCHH)	C(C[5,5]C[5,5]C[5]2)(CC[3x6]O)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)2(CCHH){8|H<1>}	C(C[5,5]C[5,5]C[5]2)(CC[3x6]O)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|O<1>,2|C<4>,3|H<1>}	109.4220	3.189	2	109.4220	10.170	2	110.5507	8.907	3	110.5507	8.907	3	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:3:4:	4:4:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]C)2(CCHH)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]C)2(CCHH){4|C<4>}	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CCHH){2|C<3>,3|C<4>}	119.7030	3.149	16	119.7030	9.917	16	119.7030	9.917	16	119.7030	9.917	16	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:2:	C[5,5]-4:C[5]-3:C[5]-4:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[6a]-3:N[5]-2:	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]N[5])	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]N[5]){2|C<4>,3|C<3>,5|H<1>}	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	112.4220	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(CH3)	C(C[5,5]C[5,5,6]C[5,6]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5,6]C)(O[5]C[5,6])(O)	C[5,5](C[5,5,6]C[5,6,6]C[5,6]H)(C[5,6]C[5,6]C[6]O)(C[5]O[5]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,5]C[5,5,6]C[5,6]C[5])(H)3	C[5](C[5,5]C[5,5,6]C[5,6]C)(O[5]C[5,6])(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	107.8160	0.000	1	107.8160	0.000	1	107.8160	0.000	1	110.2230	4.528	3	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]O[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CO)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O){2|H<1>,2|O<2>,3|C<4>}	111.4265	0.605	2	111.4265	0.366	2	111.4265	0.366	2	110.2230	4.528	3	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]C[5]H)(CH3)	C(C[5,5]C[5,5,6]C[5]2)(H)3	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]C)(H)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]C[5]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5,5]C[5,5,6]C[5]2)(H)3	C[5](C[5,5]C[5,5,6]C[5]C)(C[5]C[5,6]C)(H){3|H<1>,4|C<4>}	110.7830	0.000	1	110.7830	0.000	1	110.7830	0.000	1	110.2147	1.448	7	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]H)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,5|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	109.2750	0.000	1	109.2750	0.000	1	110.9465	5.588	2	110.2147	1.448	7	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]HH)(C[5]C[5]H)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5])(H)	C[5,5](C[5,5]C[5]O[5]C)(C[5]N[5]HH)(C[5]C[5]H)(CH3){1|C<3>,1|S<4>,2|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]O[5])(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	112.6180	0.000	1	112.6180	0.000	1	110.9465	5.588	2	110.2147	1.448	7	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:O-1:	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(O)	C[5,5](C[5,5]C[5]2O)(C[5]O[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	109.2830	0.000	1	109.2830	0.000	1	109.2830	0.000	1	110.2147	1.448	7	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]2H)(C[5]N[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]2H)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>,7|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){3|C<4>,4|H<1>}	110.1710	0.000	1	110.1710	0.000	1	109.7425	0.367	2	110.2147	1.448	7	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<4>,6|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){1|C<3>,2|C<4>,4|H<1>}	109.3140	0.000	1	109.3140	0.000	1	109.7425	0.367	2	110.2147	1.448	7	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]H)(CH3){1|O<1>,3|H<1>,4|C<3>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]H)(H){1|C<4>,2|H<1>,4|C<3>}	110.0590	0.000	1	110.0590	0.000	1	110.0590	0.000	1	110.2147	1.448	7	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-3:	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<2>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,4|C<3>}	110.7220	0.275	4	110.7220	0.075	4	110.7220	0.075	4	110.7220	0.075	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[3,5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3)	C(C[5,5]C[3,5,5]C[5]2)(H)3	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3)	C[5,5](C[3,5,5]C[3,5]P[3,5]C)(C[5]C[5a]N[5]H)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,1|W<6>,3|C<4>}	C(C[5,5]C[3,5,5]C[5]2)(H)3	C[5](C[5,5]C[3,5,5]C[5]C)(C[5]C[3,5]C)(CH3){1|C<3>,1|H<1>,1|N<3>,1|P<4>,2|C<4>}	114.0190	0.000	1	114.0190	0.000	1	114.0190	0.000	1	113.4573	0.829	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[3,5,5]-4:P[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[3,5,5]C[3,5]2C)(P[5]C[5]OW)(C[5]C[5]C)(CH3)	C(C[5,5]C[3,5,5]C[5]P[5])(H)3	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3)	C[5,5](C[3,5,5]C[3,5]2C)(P[5]C[5]OW)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5,5]C[3,5,5]C[5]P[5])(H)3	C[5](C[5,5]C[3,5,5]P[5]C)(C[5]C[3,5]C)(CH3){1|O<2>,1|W<6>,4|C<4>}	112.9890	1.261	2	112.9890	1.591	2	112.9890	1.591	2	113.4573	0.829	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5]-4:P[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:C-4:	C[5,5](C[5,5]C[5]2C)(P[5]C[5]WW)(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]C[5]P[5])(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)	C[5,5](C[5,5]C[5]2C)(P[5]C[5]WW)(C[5]C[5]C)(CH3){1|H<1>,4|C<4>}	C(C[5,5]C[5,5]C[5]P[5])(H)3	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3){1|W<6>,1|W<8>,4|C<4>}	113.8320	0.000	1	113.8320	0.000	1	113.8320	0.000	1	113.4573	0.829	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3x5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5,5]C[3x5]C[5]2)(H)3	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(O)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|Si<4>,3|C<4>,7|H<1>}	C(C[5,5]C[3x5]C[5]2)(H)3	C[5](C[5,5]C[3x5]C[5]C)(C[5]C[5,5]HH)(O){2|H<1>,5|C<4>}	107.9720	0.000	1	107.9720	0.000	1	107.9720	0.000	1	109.9064	4.411	8	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O){3|C<4>,4|H<1>}	111.8160	0.000	1	111.8160	0.000	1	109.9195	4.739	6	109.9064	4.411	8	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	108.5820	0.639	2	108.5820	0.409	2	109.9195	4.739	6	109.9064	4.411	8	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|C<4>,2|O<2>,4|H<1>}	108.2660	0.000	1	108.2660	0.000	1	109.9195	4.739	6	109.9064	4.411	8	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CH)(O)	C[5,5](C[5,5]C[5]O[5]O)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CH)(O){1|O<2>,2|C<4>,2|H<1>}	113.4180	0.000	1	113.4180	0.000	1	109.9195	4.739	6	109.9064	4.411	8	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O)	C[5,5](C[5,5]N[5,6a]C[5]O)(C[5]C[5,6a]HH)(C[5]C[5]O)(CH3){2|C<3>,4|H<1>}	C(C[5,5]C[5,5]C[5]2)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(O){1|C<3>,1|N<3>,1|O<2>,4|H<1>}	108.8530	0.000	1	108.8530	0.000	1	109.9195	4.739	6	109.9064	4.411	8	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3)	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(O)	C[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2O)(C[5]C[5]O)(CH3){2|C<4>,9|H<1>}	C(C[5,5]C[5,5]C[5,6]C[5])(H)3	C[5](C[5,5]C[5,5]C[5,6]C)(C[5]C[5]HH)(O){1|O<2>,3|C<4>,3|H<1>}	111.7620	0.000	1	111.7620	0.000	1	111.7620	0.000	1	109.9064	4.411	8	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(CH3)	C(C[5,5]C[5,5]2C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]HH)(CHH)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]C)(CH3){2|C<4>,9|H<1>}	C(C[5,5]C[5,5]2C[5])(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]HH)(CHH){3|C<4>,4|H<1>}	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:2:1:1:	4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO)	C(C[5,5]C[5,5]2C[5])(OH)(H)2	C[5](C[5,5]C[5,5]2C)(C[5]C[5]CC)(O)	C[5,5](C[5,5]N[5,5]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)(CHHO){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C(C[5,5]C[5,5]2C[5])(OH)(H)2	C[5](C[5,5]C[5,5]2C)(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	110.0000	0.160	2	110.0000	0.026	2	110.0000	0.026	2	110.0000	0.026	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:2:1:1:	4:4:3:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO)	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(C[5]C[5]C)(CHHO){1|S<4>,2|C<3>,2|H<1>}	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH){1|S<4>,2|C<3>,3|H<1>}	111.7590	0.000	1	111.7590	0.000	1	110.3545	3.945	2	110.3545	3.945	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:2:1:1:	4:4:3:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO)	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HO)(C[5]C[5]C)(CHHO){2|H<1>,3|C<3>}	C(C[5,5]C[5,5]C[5]2)(OH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]HH)(CHH){1|O<2>,2|H<1>,3|C<3>}	108.9500	0.000	1	108.9500	0.000	1	110.3545	3.945	2	110.3545	3.945	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:3:1:1:	4:2:1:	C[3x5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(C[5,5]C[3x5]C[5]2)(CC[6a]O)(H)2	C[5](C[5,5]C[3x5]C[5]C)(O[5]C[5])(O)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|C<3>,2|O<2>,6|H<1>}	C(C[5,5]C[3x5]C[5]2)(CC[6a]O)(H)2	C[5](C[5,5]C[3x5]C[5]C)(O[5]C[5])(O){3|C<4>,4|H<1>}	109.5940	0.000	1	109.5940	0.000	1	109.5940	0.000	1	109.8745	0.154	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:3:1:1:	4:2:1:	C[5,5,6]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C(C[5,5]C[5,5,6]C[5]2)(CC[6a]O)(H)2	C[5](C[5,5]C[5,5,6]C[5]C)(O[5]C[5])(O)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|N<3>,2|O<2>,6|H<1>}	C(C[5,5]C[5,5,6]C[5]2)(CC[6a]O)(H)2	C[5](C[5,5]C[5,5,6]C[5]C)(O[5]C[5])(O){3|C<4>,4|H<1>}	109.7245	0.025	2	109.7245	0.001	2	109.7245	0.001	2	109.8745	0.154	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:3:1:1:	4:2:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O)	C[5,5](C[5,5]C[5]2O)(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|O<2>,5|H<1>}	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5])(O){1|O<2>,2|C<4>,4|H<1>}	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	109.8745	0.154	4	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:3:1:1:	4:3:1:	C[4,3x5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-3:H-1:	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH)	C(C[5,5]C[4,3x5]C[5]2)(COO)(H)2	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]H)(H)	C[5,5](C[4,3x5]C[4,5]2C[5,5])(C[5]C[5]HH)(C[5]C[5]H)(CCHH){3|C<4>,6|H<1>}	C(C[5,5]C[4,3x5]C[5]2)(COO)(H)2	C[5](C[5,5]C[4,3x5]C[5]C)(C[5]C[4,5]H)(H){3|H<1>,4|C<4>}	107.4320	0.000	1	107.4320	0.000	1	107.4320	0.000	1	107.8225	0.305	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-1:	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O)	C[5,5](C[5]C[6a]N[5]H)(C[5,5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C(C[5,5]C[5,5]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	108.2130	0.000	1	108.2130	0.000	1	108.2130	0.000	1	107.8225	0.305	2	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,5]	C	C[5]	4:4:3:4:	4:4:1:1:	4:2:1:	C[5,5]-4:C[5]-4:C[5]-3:C-4:	C[5,5]-4:C-4:H-1:H-1:	C[5,5]-4:O[5]-2:O-1:	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(CCHH)	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5,6])(O)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)(CCHH){2|C<4>,4|H<1>}	C(C[5,5]C[5,5]C[5]2)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(O[5]C[5,6])(O){2|H<1>,5|C<4>}	106.8300	0.000	1	106.8300	0.000	1	106.8300	0.000	1	106.8300	0.000	1	112.3745	16.939	139	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	112.7173	0.514	3	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	111.9160	0.000	1	111.9160	0.000	1	112.4275	0.523	2	112.7173	0.514	3	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	112.9390	0.000	1	112.9390	0.000	1	112.4275	0.523	2	112.7173	0.514	3	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	109.1980	0.000	1	111.5565	11.125	2	111.5565	11.125	2	111.7994	1.920	15	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	113.9150	0.000	1	111.5565	11.125	2	111.5565	11.125	2	111.7994	1.920	15	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	112.9583	1.191	3	112.9583	1.418	3	112.9583	1.418	3	111.7994	1.920	15	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2){2|C<4>,6|C<3>}	110.8775	0.345	4	110.8775	0.119	4	110.8775	0.119	4	111.7994	1.920	15	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	112.6790	0.000	1	112.2483	0.145	3	112.2483	0.145	3	111.7994	1.920	15	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	112.0330	0.110	2	112.2483	0.145	3	112.2483	0.145	3	111.7994	1.920	15	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	110.7915	0.474	2	110.7915	0.225	2	111.5827	1.990	3	111.7994	1.920	15	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6]2){2|C<4>,7|C<3>}	113.1650	0.000	1	113.1650	0.000	1	111.5827	1.990	3	111.7994	1.920	15	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:4:4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	109.7700	0.000	1	109.7700	0.000	1	109.7700	0.000	1	112.7855	18.186	2	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	3:4:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	112.7855	18.186	2	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	112.0088	1.625	11	112.0088	2.640	11	112.0088	2.640	11	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	111.2310	0.387	2	111.2310	0.150	2	111.2310	0.150	2	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	114.2010	0.466	4	114.2010	0.217	4	113.2570	4.619	5	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	109.4810	0.000	1	109.4810	0.000	1	113.2570	4.619	5	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	114.4640	0.000	1	115.4350	1.886	2	114.5096	1.233	16	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	116.4060	0.000	1	115.4350	1.886	2	114.5096	1.233	16	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,5|C<3>}	113.2005	0.631	2	114.3774	1.127	14	114.5096	1.233	16	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{3|C<4>,7|C<3>}	114.7080	0.967	10	114.3774	1.127	14	114.5096	1.233	16	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{4|C<4>,7|C<3>}	113.9015	1.234	2	114.3774	1.127	14	114.5096	1.233	16	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CF3){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	112.1666	0.688	8	112.1666	0.473	8	112.1666	0.473	8	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[3x6]-3:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[3x6]C[6,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	113.2375	0.606	2	113.2375	0.367	2	113.2375	0.367	2	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[3x6]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2)(C[3x6]C[6,6,6a]2){2|C<4>,7|C<3>}	108.8190	0.000	1	108.8190	0.000	1	108.8190	0.000	1	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,4|C<4>}	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	109.1630	0.505	2	109.1630	0.255	2	110.4997	5.487	3	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,5|C<3>}	C(C[5,6,6]C[6,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[6,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	113.1730	0.000	1	113.1730	0.000	1	110.4997	5.487	3	112.8567	3.680	48	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	110.5740	0.000	1	110.5740	0.000	1	110.5740	0.000	1	113.5058	3.991	30	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	112.6890	0.000	1	112.6890	0.000	1	112.4861	0.958	13	113.5058	3.991	30	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	112.2553	0.552	3	112.4692	1.041	12	112.4861	0.958	13	113.5058	3.991	30	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	112.5404	1.154	9	112.4692	1.041	12	112.4861	0.958	13	113.5058	3.991	30	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,6,6a]-3:C[3x6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[3x6]C[5,6,6]C[3x6])(C[5,6,6]C[5,6,6]2)(CF3){4|C<3>,5|C<4>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]C[3x6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]C[3x6]C){2|C<4>,7|C<3>}	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	113.5058	3.991	30	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2C){3|C<4>,6|C<3>}	112.3030	0.000	1	112.3030	0.000	1	112.3030	0.000	1	113.5058	3.991	30	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	115.4345	0.422	2	115.4345	0.178	2	115.4126	0.328	13	113.5058	3.991	30	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	115.4132	0.646	10	115.4132	0.418	10	115.4126	0.328	13	113.5058	3.991	30	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	115.3630	0.000	1	115.3630	0.000	1	115.4126	0.328	13	113.5058	3.991	30	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:3:4:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	110.8320	0.000	1	110.8320	0.000	1	110.8320	0.000	1	113.5058	3.991	30	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	109.5750	0.000	1	109.5750	0.000	1	111.6930	6.957	6	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6]2)3(CF3){5|C<3>,6|C<4>}	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	113.8610	0.000	1	113.8610	0.000	1	111.6930	6.957	6	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6]2C)2(C[5,6,6]C[5,6,6]2){5|C<3>,5|C<4>}	114.3920	0.000	1	114.3920	0.000	1	111.6930	6.957	6	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){4|C<3>,6|C<4>}	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	114.0170	0.000	1	111.6620	11.092	2	111.6930	6.957	6	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	109.3070	0.000	1	111.6620	11.092	2	111.6930	6.957	6	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C(C[5,6,6]C[5,6,6]3)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	109.0060	0.000	1	109.0060	0.000	1	111.6930	6.957	6	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6])	C[5,6,6](C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6]){2|C<4>,7|C<3>}	111.8200	0.000	1	111.8200	0.000	1	111.8200	0.000	1	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	114.8160	0.000	1	114.8160	0.000	1	113.3890	4.073	2	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	111.9620	0.000	1	111.9620	0.000	1	113.3890	4.073	2	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	115.2300	0.000	1	114.2160	2.056	2	113.1707	4.176	14	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	113.2020	0.000	1	114.2160	2.056	2	113.1707	4.176	14	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6]2){3|C<4>,7|C<3>}	111.6180	0.000	1	111.6180	0.000	1	113.1707	4.176	14	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	111.0348	0.679	4	111.8073	2.243	7	113.1707	4.176	14	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){4|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	113.5250	1.915	2	111.8073	2.243	7	113.1707	4.176	14	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)2(CF3){5|C<3>,5|C<4>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	111.4620	0.000	1	111.8073	2.243	7	113.1707	4.176	14	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)2(C[5,6,6]C[5,6,6a]C[5,6,6]){1|C<4>,8|C<3>}	115.4222	0.543	4	115.4222	0.295	4	113.1707	4.176	14	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){3|C<4>,6|C<3>}	115.9070	0.000	1	115.0720	1.394	2	115.0720	1.394	2	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	114.2370	0.000	1	115.0720	1.394	2	115.0720	1.394	2	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]2)(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	111.8310	0.000	1	111.8310	0.000	1	112.4615	3.780	6	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){4|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	111.3230	0.285	3	111.3230	0.081	3	112.4615	3.780	6	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6,6a]C[6,6,6a])(C[6,6,6a]C[6,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	112.7140	0.000	1	112.7140	0.000	1	112.4615	3.780	6	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6,6a]-3:C[6,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[6,6a,6a]C[5,6,6a])(C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	116.2550	0.000	1	116.2550	0.000	1	112.4615	3.780	6	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[6,6,6a]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[3x6]-3:	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6])	C[5,6,6](C[6,6,6a]C[5,6,6a]C[6,6,6a])(C[5,6,6]C[5,6,6]C[3x6])(C[5,6,6a]C[5,6,6a]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[3x6]C[5,6,6]C[3x6]){2|C<4>,7|C<3>}	114.5710	0.000	1	114.5710	0.000	1	114.5710	0.000	1	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[6,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:F-1:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3)	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CF3){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[6,6,6a]C[5,6,6])(F)3	C[5,6,6](C[5,6,6]C[5,6,6a]C[6,6,6a]C)2(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	116.8205	0.934	2	116.8205	0.873	2	116.8205	0.873	2	113.1256	5.094	34	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C){2|C<4>,7|C<3>}	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	113.4218	3.081	6	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	114.1060	0.458	3	114.1060	0.210	3	114.1284	0.106	5	113.4218	3.081	6	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){2|C<4>,7|C<3>}	114.1300	0.000	1	114.1300	0.000	1	114.1284	0.106	5	113.4218	3.081	6	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:3:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6a,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	114.1940	0.000	1	114.1940	0.000	1	114.1284	0.106	5	113.4218	3.081	6	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:3:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,6,6]-3:C[5,6,6]-4:C[5,6,6a]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]HH){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2){3|C<4>,7|C<3>}	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	113.0230	0.000	1	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:3:1:1:	4:4:3:	C[5,6,6]-3:C[5,6,6]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C[6a]-3:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5,6,6])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(CC[6a]HH){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(C[6a]C[6a]2)(H)2	C[5,6,6](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){1|H<1>,3|C<4>,9|C<3>}	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:3:3:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:C[6a]-3:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]2H){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)2(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,5,6,6]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	116.1310	0.000	1	116.1310	0.000	1	116.1310	0.000	1	116.1310	0.000	1	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:3:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C[6a]-3:C-4:H-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CC[6a]CH){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(C[6a]C[6a]2)(CSiHH)(H)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|Si<4>,8|C<3>}	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:1:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[6,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	115.6200	0.000	1	115.6200	0.000	1	115.6200	0.000	1	115.6200	0.000	1	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6]){2|C<4>,7|C<3>}	110.4060	0.000	1	110.4060	0.000	1	110.4060	0.000	1	112.6165	9.773	2	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6a]-3:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6a]C[5a,6,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	112.6165	9.773	2	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6]-4:C[5,6,6a]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCFF){2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2){2|C<4>,8|C<3>}	114.9450	0.000	1	114.9450	0.000	1	114.9450	0.000	1	113.3503	1.909	3	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){3|C<4>,5|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2)2{1|H<1>,4|C<4>,6|C<3>}	112.5530	0.064	2	112.5530	0.004	2	112.5530	0.004	2	113.3503	1.909	3	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:1:1:	4:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5,6,6]2)(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	116.0330	0.000	1	116.0330	0.000	1	116.0330	0.000	1	114.1745	1.579	4	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:1:1:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	113.4910	0.000	1	113.4910	0.000	1	113.4135	0.012	2	114.1745	1.579	4	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:1:1:	4:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6]2)(CCFF){2|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	113.3360	0.000	1	113.3360	0.000	1	113.4135	0.012	2	114.1745	1.579	4	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:1:1:	4:3:4:	C[5a,6,6]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:F-1:F-1:	C[5,6,6]-4:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF)	C(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5a,6,6]C[5a,6,6a]C[5a,6,6])(C[5,6,6a]C[5,6,6a]2)(C[5,6,6]C[5,6,6]2)(CCFF){3|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]C[5a,6,6]C[5,6,6])(CF3)(F)2	C[5,6,6](C[5,6,6]C[5,6,6a]C[5a,6,6]C)(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	114.1745	1.579	4	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:1:1:	4:4:3:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:Si-4:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:C[5,6,6]-3:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6]2)(CSiHH){1|H<1>,2|C<4>,6|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(SiC[6a]CC)(H)2	C[5,6,6](C[5,6,6]C[5,6,6a]2C)(C[5,6,6]C[5,6,6]2H)(C[5,6,6]C[5,6,6]2){4|C<4>,6|C<3>}	111.8200	0.366	2	111.8200	0.134	2	111.8200	0.134	2	111.8200	0.134	2	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:4:1:	3:3:4:	C[5,6,6]-3:C[5,6,6a]-3:C[5,6,6a]-3:C-4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6a]C[5,6,6a]2)2(CCCF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	112.0783	1.648	3	112.0783	2.716	3	112.0783	2.716	3	112.2912	1.263	6	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])2(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	112.8055	0.258	2	112.8055	0.067	2	112.5040	0.306	3	112.2912	1.263	6	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:3:3:4:	4:4:4:1:	3:3:4:	C[5,6,6a]-3:C[5,6,6a]-3:C[5,6,6]-3:C-4:	C[5,6,6]-4:C-4:C-4:F-1:	C[5,6,6a]-3:C[5,6,6]-3:C[5,6,6]-4:	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF)	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6a]C[5,6a,6a]C[5,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(CCCF){1|C<4>,7|C<3>}	C(C[5,6,6]C[5,6,6a]2C[5,6,6])(CF3)2(F)	C[5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])(C[5,6,6]C[5,6,6a]C[5,6,6])(C[5,6,6]C[5,6,6a]2C){1|C<4>,8|C<3>}	111.9010	0.000	1	111.9010	0.000	1	112.5040	0.306	3	112.2912	1.263	6	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	3:4:3:4:	4:1:1:1:	4:4:2:	C[5,6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6,6]-4:N[5]-2:	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3)	C(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)3	C[5,6,6](C[5,6,6]C[5,6]N[5,6]C)(C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a])	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(C[5,6,6]C[5,6,6]C[5,6]N[5,6])(H)3	C[5,6,6](C[5,6,6]C[5,6]N[5,6]C)(C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]){3|C<3>,4|C<4>,4|H<1>}	111.6060	0.030	2	111.6060	0.001	2	111.6060	0.001	2	111.6060	0.001	2	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6,6]	4:3:3:4:	4:1:1:1:	4:4:3:	C[5,5,6,6]-4:C[5,6,6]-3:C[6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3)	C(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H)	C[5,6,6](C[5,5,6,6]C[5,6]O[5,5]C[6])(C[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,3|C<4>,4|H<1>}	C(C[5,6,6]C[5,5,6,6]C[5,6,6]C[6])(H)3	C[5,6,6](C[5,5,6,6]C[5,6]2O[5,5])(C[5,6,6]C[5,5,6,6]C[6]C)(C[6]C[6]H){1|C<3>,4|C<4>,6|H<1>}	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	111.0470	0.000	1	112.9672	3.871	163	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:3:	N[5,6,6]-3:C[6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	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)	C(C[5,6,6]N[5,6,6]C[5,6]C[6,6])(H)3	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	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>}	C(C[5,6,6]N[5,6,6]C[5,6]C[6,6])(H)3	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>,2|N<3>}	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.7340	0.000	1	110.4265	5.284	10	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6,6]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C)	C[5,6,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]H)(C[5,6]C[5]C[6])(CH3){1|C<3>,4|C<4>,5|H<1>}	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]HH)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	109.3500	0.395	2	109.3500	0.156	2	109.3500	0.156	2	109.3500	0.156	2	110.4265	5.284	10	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C[6]-3:	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3)	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6])(C[6,6]C[6]2H)(CH3){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C(C[5,6,6]C[5,6]2C[6,6])(H)3	C[5,6](C[5,6,6]C[5,6]C[6,6]C)(C[5]O[5]O)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	110.5100	0.095	2	110.5100	0.009	2	110.5100	0.009	2	110.5100	0.009	2	110.4265	5.284	10	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[3x5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6,6](C[3x5,6,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(H)3	C[5,6](C[5,6,6]C[3x5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O)	C[5,6,6](C[3x5,6,6]C[5,5,6,6]O[5,5]C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[5,6,6]C[3x5,6,6]C[5,6]C[6])(H)3	C[5,6](C[5,6,6]C[3x5,6,6]C[6]C)(C[5,5,6]C[5,6]O[5,5]C)(O){1|O<1>,2|H<1>,3|C<4>}	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.8227	14.775	4	110.4265	5.284	10	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6,6]-4:O-1:	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(O)	C[5,6,6](C[5,5,6,6]O[5,5]O[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){2|C<4>,5|H<1>}	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6,6]C[5,5,6,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.9490	0.000	1	111.9490	0.000	1	111.9490	0.000	1	110.8227	14.775	4	110.4265	5.284	10	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,5,6]-4:O-1:	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3)	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O)	C[5,6,6](C[5,5,6,6]C[5,5]C[5,6]C[6])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,7|H<1>}	C(C[5,6,6]C[5,5,6,6]C[5,6]C[6])(H)3	C[5,6](C[5,6,6]C[5,5,6,6]C[6]C)(C[5,5,6]C[5,5]C[5,6]H)(O){2|C<3>,2|C<4>,4|H<1>}	105.8280	0.000	1	105.8280	0.000	1	105.8280	0.000	1	110.8227	14.775	4	110.4265	5.284	10	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6,6]-4:C[5,6]-3:C[6,6]-4:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6,6]-4:O-1:	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)	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6,6]C[6,6]C)(O)	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>}	C(C[5,6,6]C[5,6,6]C[5,6]C[6,6])(H)3	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[5,6,6]C[6,6]C)(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	115.0620	0.000	1	115.0620	0.000	1	115.0620	0.000	1	110.8227	14.775	4	110.4265	5.284	10	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:3:	N[5,6,6]-4:C[6,6]-4:C[5,6]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	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)	C(C[5,6,6]N[5,6,6]C[5,6]C[6,6])(H)3	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H)	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>}	C(C[5,6,6]N[5,6,6]C[5,6]C[6,6])(H)3	C[5,6](C[5,6,6]N[5,6,6]C[6,6]C)(N[5,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	110.5200	0.000	1	110.5200	0.000	1	110.5200	0.000	1	110.5200	0.000	1	110.4265	5.284	10	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	3:4:3:4:	4:4:1:1:	4:3:1:	N[5,6,6]-3:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]O)(CCHH)	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O)	C[5,6,6](N[5,6,6]C[3x6]C[5])(C[3x6]C[6,6]2H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,6|H<1>}	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O){1|C<3>,2|C<4>,2|H<1>}	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	107.6700	0.000	1	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,1|O<2>,4|C<4>}	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	117.1680	0.000	1	116.7173	0.152	3	116.7173	0.152	3	116.7173	0.152	3	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|W<6>,4|C<4>}	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	116.4810	0.000	1	116.7173	0.152	3	116.7173	0.152	3	116.7173	0.152	3	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:4:	C[5,3x6]-4:O[6,6]-2:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3)	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(O[6,6]P[3x6])(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,1|O<2>,4|C<4>}	C(C[5,6,6]C[5,3x6]O[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]O[6,6]C)(C[5]C[5,6,6]C)(CH3){1|P<4>,4|C<4>}	116.5030	0.000	1	116.7173	0.152	3	116.7173	0.152	3	116.7173	0.152	3	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:3:3:4:	4:4:1:1:	4:3:1:	C[3x6]-4:N[5,6,6]-3:C[5]-3:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:O-1:	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH)	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O)	C[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(N[5,6,6]C[3x6]C[5])(C[5]C[5]O)(CCHH){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6,6]N[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5](C[5,6,6]N[5,6,6]C[3x6]C)(C[5]C[5]H)(O){1|C<3>,2|C<4>,2|H<1>}	107.6400	0.000	1	107.6400	0.000	1	107.6400	0.000	1	107.6400	0.000	1	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-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)	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O)	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>}	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O){2|H<1>,2|O<2>,3|C<4>}	108.6810	0.000	1	109.1760	0.585	4	109.1760	0.585	4	109.1760	0.585	4	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-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)	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O)	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>}	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	109.2310	1.164	2	109.1760	0.585	4	109.1760	0.585	4	109.1760	0.585	4	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:O[5]-2:O-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)	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O)	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>}	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(O[5]C[5,6])(O){2|H<1>,2|O<2>,3|C<4>}	109.5610	0.000	1	109.1760	0.585	4	109.1760	0.585	4	109.1760	0.585	4	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]H)(CH3)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C[6])(H)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]Cl)(C[6,6]C[3x6]HH)(C[5]C[5]H)(CH3){1|C<4>,2|O<2>,3|C<3>}	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C[6])(H){1|Cl<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	114.5295	0.701	2	114.5295	0.491	2	114.5295	0.491	2	114.5295	0.491	2	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Cr<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	112.0740	0.000	1	112.1753	0.008	3	112.1753	0.008	3	112.1753	0.008	3	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|H<1>,1|W<6>,2|C<3>,2|O<2>,3|C<4>}	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	112.1980	0.000	1	112.1753	0.008	3	112.1753	0.008	3	112.1753	0.008	3	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]P[3x6]C[6a]H)(C[5]C[5]C)(CH3){1|Mo<6>,1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(H)3	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,1|P<4>,3|C<4>}	112.2540	0.000	1	112.1753	0.008	3	112.1753	0.008	3	112.1753	0.008	3	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,3x6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(CH3)(H)2	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]C[5]H)(H)	C[5,6,6](C[5,3x6]C[4x6]C[5]C[6])(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,6|H<1>}	C(C[5,6,6]C[5,3x6]C[3x6]C[5])(CH3)(H)2	C[5](C[5,6,6]C[5,3x6]C[3x6]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	109.3250	0.000	1	109.3250	0.000	1	109.3250	0.000	1	111.3684	6.525	5	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:N[5]-3:O-1:	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH)	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(CH3)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(N[5]C[5,6,6]C)(O)	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(C[5]N[5]O)(CCHH){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[5,6,6]C[5,5,3x6]C[6,6]C[5])(CH3)(H)2	C[5](C[5,6,6]C[5,5,3x6]C[6,6]C)(N[5]C[5,6,6]C)(O){2|C<3>,2|C<4>,3|H<1>}	115.7740	0.000	1	115.7740	0.000	1	115.7740	0.000	1	111.3684	6.525	5	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,2|C<4>,4|H<1>}	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CCHH)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]H)(H){1|C<3>,3|C<4>,3|H<1>}	110.4630	0.000	1	110.4630	0.000	1	110.5810	0.327	3	111.3684	6.525	5	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-3:H-1:	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH)	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]C)(H)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|C<2>,3|C<4>,3|H<1>}	C(C[5,6,6]C[5,6,6]C[3x6]C[5])(CH3)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]C)(C[5]C[5]C)(H){1|C<3>,3|C<4>,3|H<1>}	110.6400	0.796	2	110.6400	0.634	2	110.5810	0.327	3	111.3684	6.525	5	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHH)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHO)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	107.5990	0.000	1	107.5990	0.000	1	107.5990	0.000	1	107.5990	0.000	1	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:4:2:1:	4:4:1:	C[5,3x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C)(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6,6]C[5,3x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5](C[5,6,6]C[5,3x6]C[6,6]C)(C[5]C[5,6,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	108.5997	1.161	3	108.5997	1.348	3	108.5997	1.348	3	108.6200	0.900	4	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6,6]	C	C[5]	4:4:3:4:	4:4:2:1:	4:4:1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C-4:O-2:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO)	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]HH)(O)	C[5,6,6](C[5,4x6]C[5,6,6]C[3x6]C[6])(C[6,6]C[3x6]HH)(C[5]C[5]O)(CCHO){1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[5,6,6]C[5,4x6]C[6,6]C[5])(CCHH)(OH)(H)	C[5](C[5,6,6]C[5,4x6]C[6,6]C)(C[5]C[5,6,6]HH)(O){3|H<1>,4|C<4>}	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6200	0.900	4	111.1113	9.947	24	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,5,6]	3:3:3:4:	4:1:1:1:	4:4:2:	C[5,5,6]-3:C[5]-3:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:N[5]-2:	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3)	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a])	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]N[6]C)(N[5]C[5,6a]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	114.8670	0.000	1	114.8670	0.000	1	114.8670	0.000	1	114.8670	0.000	1	114.4050	0.180	3	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:Cl-1:Cl-1:H-1:	C[3x5,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C(C[5,6]C[5,5,6]C[5,6]C[6])(Cl)2(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H)	C[5,6](C[5,5,6]C[3x5,6]C[5,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){4|C<4>,7|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C[6])(Cl)2(H)	C[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,6]C[6]C)(C[5,6]C[5,5,6]H){1|O<2>,3|C<4>,9|H<1>}	114.1740	0.201	2	114.1740	0.040	2	114.1740	0.040	2	114.1740	0.040	2	114.4050	0.180	3	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,5]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[5,5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]C[5])(C[6]C[6,6]CH)(CH3){1|O<2>,2|H<1>,6|C<4>}	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]O[5]H)(C[5]C[5]C){1|C<3>,3|C<4>,5|H<1>}	113.5023	1.089	3	113.5023	1.187	3	113.5023	1.187	3	113.5023	1.187	3	113.5023	1.187	3	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[5,6,6]C[5,6]2O)(C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	116.8920	9.236	2	113.8755	4.298	11	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	116.8920	9.236	2	113.8755	4.298	11	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5,6]-4:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	C[5,6,6](C[6,6]C[5,6,6]C[6])(C[5,6]C[3,5]C[6]C)(C[5,6]C[3,5]C[6]O){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	115.7160	0.000	1	115.7160	0.000	1	115.7160	0.000	1	115.7160	0.000	1	113.8755	4.298	11	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]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){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6])(C[6,6]C[6]2){11|H<1>,1|C<4>,1|N<3>}	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.0190	0.000	1	113.8755	4.298	11	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[3,5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[3,5]C[3,5]C[3]H)(C[6]C[6]HH)(CH3){3|C<4>,6|H<1>}	C(C[5,6]C[5,6,6]C[3,5]C[6])(H)3	C[5,6,6](C[5,6]C[3,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5,6]C[3,5]C[6]){1|C<3>,1|O<2>,3|C<4>,8|H<1>}	114.6700	0.000	1	114.6700	0.000	1	114.6700	0.000	1	112.8730	0.731	7	113.8755	4.298	11	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	C[5,6](C[5,6,6]C[5,5,6]C[6,6])(C[5]C[5]HH)(C[6]O[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,4|C<4>,6|H<1>}	112.6285	0.438	2	112.6285	0.192	2	112.6737	0.102	3	112.8730	0.731	7	113.8755	4.298	11	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6,6]-3:	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)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2)	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>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6]C[5]C[6]C)(C[6,6]C[6]2){2|C<3>,3|O<2>,4|C<4>,6|H<1>}	112.7640	0.000	1	112.7640	0.000	1	112.6737	0.102	3	112.8730	0.731	7	113.8755	4.298	11	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	112.3290	0.000	1	112.3290	0.000	1	112.4733	0.178	3	112.8730	0.731	7	113.8755	4.298	11	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HH)(C[6]C[6]HO)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	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[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>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	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>}	112.9480	0.000	1	112.9480	0.000	1	112.4733	0.178	3	112.8730	0.731	7	113.8755	4.298	11	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5])	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[5]O[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5,6,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]){1|C<3>,1|O<1>,2|C<4>,3|O<2>,4|H<1>}	112.1430	0.000	1	112.1430	0.000	1	112.4733	0.178	3	112.8730	0.731	7	113.8755	4.298	11	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:2:3:4:	4:1:1:1:	4:2:3:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:Se[6]-2:C[5]-3:	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]Se[6]C[5])(H)3	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C)	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	C(C[5,6]C[5,6]Se[6]C[5])(H)3	C[5,6](C[5,6]Se[6]C[5]C)(Se[6]C[5,6])(C[5]C[5]C){2|C<3>,3|C<4>}	115.0530	0.000	1	115.0530	0.000	1	115.0530	0.000	1	115.0530	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:2:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]O)(O[5]C[5])(CH3){1|H<1>,1|O<1>,3|C<3>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]C)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,2|O<1>}	110.9745	0.074	2	110.9745	0.006	2	110.9745	0.006	2	111.4262	0.274	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:2:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3)	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(O[6]C[6])(CH3){3|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]O[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]C[6a]){1|C<4>,1|H<1>,6|C<3>}	111.8780	0.004	2	111.8780	0.000	2	111.8780	0.000	2	111.4262	0.274	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:S[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3)	C(C[5,6]C[5,6a]C[5,6]S[6])(H)3	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(S[6]C[5,6])(CH3){1|Ni<4>,1|C<4>,1|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]S[6])(H)3	C[5,6](C[5,6]C[5,6a]S[6]C)(C[5]C[5,6a]C[5a])(N[6]C[5,6]Ni){1|C<4>,1|N<3>,4|C<3>}	110.4165	3.249	2	110.4165	10.557	2	110.4165	10.557	2	110.4165	10.557	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:2:4:	4:4:4:4:	4:3:2:	C[5,6]-3:C[6]-3:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:C-4:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3)	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5])	C[5,6](C[5,6]C[6]N[5])(C[6]C[6]H)(O[5]P[5])(CC3){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C(C[5,6]C[5,6]C[6]O[5])(CH3)3	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]C)(N[5]P[5]){1|Cl<1>,1|C<3>,1|O<1>,2|H<1>}	113.9010	0.000	1	113.9010	0.000	1	113.9010	0.000	1	113.9010	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]C){1|O<1>,3|H<1>,4|C<3>}	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:3:4:	4:1:1:1:	4:2:3:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(O[5]C[5,6a])(C[6]C[6]H){2|O<1>,3|C<3>}	109.0300	0.687	5	109.0300	0.472	5	109.0300	0.472	5	109.0300	0.472	5	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:3:4:	4:1:1:1:	4:3:2:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-2:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]C)(N[5]C[5]){1|N<2>,2|C<3>,2|H<1>}	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:3:4:	4:1:1:1:	4:4:2:	C[5a,6]-3:C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3)	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5])	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	114.0020	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:C[6]-3:	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(P[5]C[6a]C[5]W)(C[6]C[6]H)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(P[5]C[6a]C[5]W)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	109.5310	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:3:4:	4:2:1:1:	4:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-3:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO)	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5])2(CHHO){1|H<1>,2|O<2>,8|C<3>}	C(C[5,6]C[5,6a]C[5,6]2)(OC)(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]C[6a]){1|C<4>,8|C<3>}	110.6590	2.684	2	110.6590	7.205	2	110.6590	7.205	2	110.6590	7.205	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:3:4:	4:3:1:1:	3:4:3:	N[5a,6]-3:C[5,6]-3:N[5]-3:C-4:	C[5,6]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN)	C(C[5,6]N[5a,6]C[5,6]N[5])(NCS)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H)	C[5,6](N[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(CHHN){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5,6]N[5a,6]C[5,6]N[5])(NCS)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5a,6]N[5]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	113.6380	0.000	1	113.6380	0.000	1	113.6380	0.000	1	113.6380	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:3:4:	4:3:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|Br<1>,1|C<4>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|O<1>,4|C<3>}	109.6175	1.316	2	108.3630	2.703	4	108.3630	2.703	4	108.3630	2.703	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:3:4:	4:3:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]O)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|O<1>,4|C<3>}	107.1085	0.285	2	108.3630	2.703	4	108.3630	2.703	4	108.3630	2.703	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:3:4:	4:4:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6,6a]O)(CCHH){1|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]C[6a])(O[5]C[5,6a]){1|O<1>,6|C<3>}	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	106.2130	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	108.7980	0.000	1	108.7980	0.000	1	108.7980	0.000	1	111.0837	9.012	6	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,3|C<4>,6|C<3>}	111.8993	4.198	3	111.5408	9.697	5	111.5408	9.697	5	111.0837	9.012	6	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C)	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6a]C[6]C){2|H<1>,4|C<4>,5|C<3>}	111.0030	1.605	2	111.5408	9.697	5	111.5408	9.697	5	111.0837	9.012	6	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	C(C[5,6]C[5,6]N[5,6]C[5])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|C<4>,1|O<1>,5|C<3>}	C(C[5,6]C[5,6]N[5,6]C[5])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]C){1|O<2>,3|H<1>,4|C<3>}	110.5360	0.000	1	110.5360	0.000	1	110.5235	0.000	2	111.0650	0.880	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:N[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3)	C(C[5,6]C[5,6]N[5,6]C[5])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HO)(CH3){1|H<1>,1|O<1>,5|C<3>}	C(C[5,6]C[5,6]N[5,6]C[5])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[5]C)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	110.5110	0.000	1	110.5110	0.000	1	110.5235	0.000	2	111.0650	0.880	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3)	C(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6])	C[5,6](C[5,6a]C[5,6a,6a]C[5,6a])(C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(CH3){1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5,6a]C[5,6]){2|H<1>,3|C<4>,6|C<3>}	112.1480	0.000	1	112.1480	0.000	1	112.1480	0.000	1	111.0650	0.880	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	111.6410	0.000	1	111.6410	0.000	1	111.6410	0.000	1	111.6410	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){4|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6])(C[5]C[5,6a]H){1|C<4>,3|H<1>,4|C<3>}	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	110.8090	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5,6]-3:N[6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(CH3){2|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]H)(C[5]C[5]HH){2|C<3>,5|H<1>}	110.8250	0.000	1	110.8250	0.000	1	110.8250	0.000	1	114.6097	4.290	6	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[5,6](C[5,6a]C[5,6a]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	115.7770	0.546	4	115.7770	0.298	4	115.3666	1.066	5	114.6097	4.290	6	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]H)(C[6]C[6]CC){1|C<4>,2|C<3>,4|H<1>}	113.7250	0.000	1	113.7250	0.000	1	115.3666	1.066	5	114.6097	4.290	6	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5,6a]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5,6a]C[5,6a]2)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(C[5]C[5,6a]H){2|C<3>,3|C<4>,5|H<1>}	115.1990	0.000	1	115.1990	0.000	1	115.1990	0.000	1	116.2235	2.099	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6,6]C[5,5,6]C[3x6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	117.2480	0.000	1	117.2480	0.000	1	117.2480	0.000	1	116.2235	2.099	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:2:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH){3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	111.4140	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:3:1:1:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CC[6a]HH)	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CC[6a]HH){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(C[6a]C[6a]O[6a])(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	112.9520	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]CC)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]CC)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){2|C<4>,4|C<3>}	108.9910	0.000	1	108.9910	0.000	1	110.4760	3.260	3	110.4760	3.260	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:3:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:N[6]-3:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]C[6,6a]HN)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[6]C[6,6a]C)(N[5]C[5,6a]){1|H<1>,1|N<3>,4|C<3>}	111.2185	1.793	2	111.2185	3.213	2	110.4760	3.260	3	110.4760	3.260	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCHH){1|P<4>,3|C<3>,4|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CHHN)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]P)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	107.3285	0.022	2	107.3285	0.000	2	107.3285	0.000	2	107.3285	0.000	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:4:1:1:	4:3:4:	C[6,6a]-3:C[5,6]-3:C[5,6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH)	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[6,6a]C[5,6]2)(CH3)(H)2	C[5,6](C[5,6]C[6,6a]C[5,6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH){1|Cl<1>,1|H<1>,3|C<3>,3|C<4>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	114.8880	0.000	1	112.5585	1.747	6	112.5585	1.747	6	112.5585	1.747	6	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6,6]-4:N[5]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6]N[5])(C[6]C[6,6]CH)(CCHH){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CN[6]HH)(H)2	C[5,6](C[5,6]C[5,6a]C[6]C)(C[6,6]C[6,6]C[6]C)(N[5]C[5,6a]){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	112.0926	0.745	5	112.5585	1.747	6	112.5585	1.747	6	112.5585	1.747	6	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:4:2:1:	4:4:3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C-4:O-2:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO)	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6])	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO){2|C<3>,2|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C[6]){1|C<3>,5|C<4>,7|H<1>}	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:4:3:1:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-4:C-3:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(CCO)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)(CCO)(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]N[6]CC){1|C<4>,2|H<1>,3|C<3>}	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	112.2280	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:3:4:4:	4:4:4:1:	4:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH)	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[6]HH)(CCCH){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6])(CH3)2(H)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	110.8790	0.000	1	110.8790	0.000	1	110.8790	0.000	1	110.8790	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:1:1:1:	3:3:4:	C[5,6]-3:C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3)	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C)	C[5,6](C[5,6]C[5,6a]C[6,6a])(C[5,6]C[5,6]O[5]C)(O[5]C[5,6a])(CH3){6|C<3>}	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[6,6a]C[5a,6a]C[6,6a])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<2>,5|C<3>}	111.9360	0.726	4	111.9360	0.527	4	111.9360	0.527	4	111.9360	0.527	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:1:1:1:	3:4:2:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5])	C[5,6](C[5,6]C[5a,6]N[5])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[6]O[5]C)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	112.9420	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CH3){1|C<4>,5|C<3>}	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	108.4227	0.408	3	108.4227	0.166	3	108.4227	0.166	3	109.4375	4.230	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(O[6]C[6])(CH3){1|O<2>,2|C<3>,2|O<1>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]O){1|O<1>,3|C<3>,3|H<1>}	112.4820	0.000	1	112.4820	0.000	1	112.4820	0.000	1	109.4375	4.230	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[4,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[5,6]C[6]O[5]C)(O)	C[5,6](C[5,6]C[4,5,6]O)(C[6]C[6]HH)(O[5]C[4,5])(CH3){3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[5,6]C[6]O[5]C)(O){2|C<4>,4|H<1>}	115.3940	0.000	1	115.3940	0.000	1	115.3940	0.000	1	114.9335	0.424	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3)	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(O[5]C[5])(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O){2|C<4>,5|H<1>}	114.4730	0.000	1	114.4730	0.000	1	114.4730	0.000	1	114.9335	0.424	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CH3){2|C<4>,2|O<2>,4|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5,6](C[5,6]C[5]O[6]C)(C[6]O[6]HH)(C[5]C[5]H){1|C<4>,1|O<2>,3|H<1>}	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	112.5270	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:3:1:1:	4:3:4:	C[5,6]-3:C[5]-4:O[6]-2:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH)	C(C[5,6]C[5,6]C[5]O[6])(CCC)(H)2	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(O[6]C[6])(CCHH){1|C<4>,1|O<1>,5|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(CCC)(H)2	C[5,6](C[5,6]C[5]O[6]C)(C[6]C[5,6]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	113.4310	0.000	1	113.4310	0.000	1	113.4310	0.000	1	113.4310	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[6]-4:N[5]-2:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH)	C(C[5,6]C[5,6]C[6]N[5])(CCO)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[6]C[6]HH)(N[5]C[5])(CCHH){3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6]N[5])(CCO)(H)2	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[6]N[5]C)(C[5]C[5]H){3|C<4>,6|H<1>}	119.3775	1.013	2	119.3775	1.027	2	119.3775	1.027	2	119.3775	1.027	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:4:4:1:	3:4:3:	C[5,6]-3:C[5,6]-4:S[5]-2:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH)	C(C[5,6]C[5,6]2S[5])(CH3)2(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]S[5]C)(S[5]C[5,6a])(CCCH){1|C<4>,5|C<3>}	C(C[5,6]C[5,6]2S[5])(CH3)2(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5]){1|H<1>,1|S<2>,2|F<1>,3|C<3>,3|C<4>}	106.8485	0.062	2	106.8485	0.004	2	106.8485	0.004	2	106.8485	0.004	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:2:4:	4:4:4:1:	4:3:2:	C[5,6]-3:C[6]-4:O[5]-2:C-4:	C[5,6]-4:C-4:C-4:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH)	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[6]C[6]HH)(O[5]C[5])(CCCH){1|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(CC[6a]HH)(CH3)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]H)(O[5]C[5]){1|C<4>,1|O<1>,4|H<1>}	111.9780	0.000	1	111.9780	0.000	1	111.9780	0.000	1	111.9780	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:3:4:	C[5,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[5]C){1|O<1>,2|H<1>,3|C<4>,5|C<3>}	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	112.0330	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6,6a]O)(CH3){1|O<1>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6a]C[5,6])(C[5,6]C[5]C[6]C)(C[6]C[6,6a]O){1|O<1>,2|H<1>,5|C<3>}	111.7980	0.000	1	111.7980	0.000	1	111.7980	0.000	1	111.6642	3.726	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]HH)(C[6]C[6a]C[6])(CH3){1|C<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	106.8810	0.000	1	106.8810	0.000	1	106.8810	0.000	1	111.6642	3.726	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,1|O<2>,1|S<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	112.1570	0.000	1	111.7148	0.618	5	112.1429	1.989	9	111.6642	3.726	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|C<4>,5|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	111.3580	0.429	2	111.7148	0.618	5	112.1429	1.989	9	111.6642	3.726	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	112.8000	0.000	1	111.7148	0.618	5	112.1429	1.989	9	111.6642	3.726	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]HH)(C[6]N[6]O)(CH3){1|S<4>,5|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5,6]C[6a]){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	110.9010	0.000	1	111.7148	0.618	5	112.1429	1.989	9	111.6642	3.726	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|F<1>,1|S<4>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|F<1>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	112.6715	1.761	2	113.3537	2.947	3	112.1429	1.989	9	111.6642	3.726	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]N[6]O)(CH3){1|S<4>,2|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]C[5]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	114.7180	0.000	1	113.3537	2.947	3	112.1429	1.989	9	111.6642	3.726	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5])	C[5,6](C[5,6]C[6,6a]C[5])(C[5]S[5]HH)(C[6]N[6]O)(CH3){1|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[6a]S[5]){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	110.6510	0.000	1	110.6510	0.000	1	112.1429	1.989	9	111.6642	3.726	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	112.0050	0.000	1	112.0050	0.000	1	112.0050	0.000	1	111.6642	3.726	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:2:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	108.1665	0.595	2	107.9383	0.333	3	107.9383	0.333	3	109.4599	2.144	7	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:2:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	107.4820	0.000	1	107.9383	0.333	3	107.9383	0.333	3	109.4599	2.144	7	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:2:3:	C[5,6a]-3:C[4,6]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-3:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3)	C(C[5,6]C[5,6a]C[4,6]C[5,6])(H)3	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[4,6]C[4,6]2H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6a]C[4,6]C[5,6])(H)3	C[5,6](C[5,6]C[5,6a]C[4,6]C)(N[5]C[5,6a])(C[6]C[6]C){2|C<3>,2|C<4>,2|H<1>}	110.6010	0.120	4	110.6010	0.014	4	110.6010	0.014	4	109.4599	2.144	7	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:2:4:	C[5,6a]-3:C[6,6]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-2:C[6]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(CH3)	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(CH3){3|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6a]C[5,6]C[6,6])(H)3	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	112.6350	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|H<1>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[6a]N[5])(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3){2|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	112.4810	0.574	4	112.4810	0.330	4	112.4810	0.330	4	112.1120	0.928	5	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:3:4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-4:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3)	C(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5a,6]N[5]H)(C[5,6]C[5,6]C[5])(CH3){1|C<4>,1|O<2>,2|H<1>,2|N<3>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]2)(H)3	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5,6]C[5a,6]C[5])(C[5]N[5]HO){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	110.6360	0.000	1	110.6360	0.000	1	110.6360	0.000	1	112.1120	0.928	5	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]2H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	111.3250	0.000	1	111.3250	0.000	1	111.3250	0.000	1	115.8978	3.499	9	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<3>,4|H<1>}	117.0650	0.000	1	116.4694	0.638	8	116.4694	0.638	8	115.8978	3.499	9	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	116.6765	0.155	2	116.4694	0.638	8	116.4694	0.638	8	115.8978	3.499	9	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,2|C<4>,5|H<1>}	116.2674	0.975	5	116.4694	0.638	8	116.4694	0.638	8	115.8978	3.499	9	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	117.0490	0.000	1	117.2283	0.104	3	117.1437	0.098	4	117.1437	0.098	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){2|H<1>,2|O<1>,2|O<2>,4|C<4>}	117.6010	0.000	1	117.2283	0.104	3	117.1437	0.098	4	117.1437	0.098	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,2|H<1>,2|O<1>,2|O<2>,3|C<4>}	117.0350	0.000	1	117.2283	0.104	3	117.1437	0.098	4	117.1437	0.098	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,5,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|H<1>,2|O<1>,3|C<4>,3|O<2>}	116.8900	0.000	1	116.8900	0.000	1	117.1437	0.098	4	117.1437	0.098	4	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:4:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:N[6]-2:	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH)	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a])	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]2)(C[5,6]N[5]N[6])(CCHH){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C(C[5,6]C[5,6a]C[5,6]2)(CHHN)(H)2	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]){1|C<4>,5|C<3>}	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	107.1210	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	C[5,6](C[5,6]C[5]C[6]C)2(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]O)(CC[5]HH){1|C<3>,1|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	C[5,6](C[5,6]C[5]C[6]C)2(O){1|O<1>,2|C<4>,5|H<1>}	114.4260	0.000	1	114.4260	0.000	1	114.4260	0.000	1	115.5200	2.394	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	116.6140	0.000	1	116.6140	0.000	1	116.6140	0.000	1	115.5200	2.394	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:3:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	111.7490	0.000	1	111.7490	0.000	1	111.7490	0.000	1	111.7490	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:2:	4:3:3:1:	4:4:3:	C[5,6]-3:C[6]-4:C-4:O[5]-2:	C[5,6]-4:C[6a]-3:N-3:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5])	C(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(NCH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(CC[6a]HN)(O[5]C[5]){1|C<4>,1|O<1>,5|H<1>}	C(C[5,6]C[5,6]C[6]O[5])(C[6a]C[6a]2)(NCH)(H)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|O<1>,4|H<1>}	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	113.3590	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O){1|O<2>,4|C<4>,7|H<1>}	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	109.2500	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-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)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]C[5]HO){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	111.4870	0.000	1	111.4870	0.000	1	109.8993	1.892	3	109.9593	0.864	14	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[5,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|C<3>,1|C<4>,2|O<2>,6|H<1>}	109.1055	0.046	2	109.1055	0.002	2	109.8993	1.892	3	109.9593	0.864	14	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	109.3170	0.000	1	109.9719	0.826	10	109.9756	0.743	11	109.9593	0.864	14	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<2>,1|O<1>,3|C<4>,6|H<1>}	109.3783	0.953	3	109.9719	0.826	10	109.9756	0.743	11	109.9593	0.864	14	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,7|H<1>}	109.7860	0.000	1	109.9719	0.826	10	109.9756	0.743	11	109.9593	0.864	14	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|O<2>,4|C<4>,7|H<1>}	110.7615	0.662	4	109.9719	0.826	10	109.9756	0.743	11	109.9593	0.864	14	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){4|C<4>,8|H<1>}	109.4350	0.000	1	109.9719	0.826	10	109.9756	0.743	11	109.9593	0.864	14	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-3:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]O[5]HH){1|N<3>,3|C<4>,6|H<1>}	110.0130	0.000	1	110.0130	0.000	1	109.9756	0.743	11	109.9593	0.864	14	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:2:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C)	C[5,6](C[5,6]C[6]O[5])(C[5]C[5,6]HH)(C[6]C[6]CH)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(O[5]C[5,6])(C[6]C[6]C){1|O<1>,3|H<1>,4|C<4>}	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	108.3210	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,2|O<2>,4|H<1>}	105.0975	1.125	2	105.0975	1.266	2	105.0975	1.266	2	108.9428	4.405	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){1|O<1>,2|C<4>,4|H<1>}	109.7260	0.486	2	109.7260	0.237	2	109.8217	0.237	6	108.9428	4.405	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|Si<4>,1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]Si)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	109.9280	0.583	2	109.9280	0.339	2	109.8217	0.237	6	108.9428	4.405	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|N<3>,8|H<1>}	110.3430	0.000	1	110.3430	0.000	1	109.8217	0.237	6	108.9428	4.405	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]C){1|O<2>,3|C<4>,5|H<1>}	109.2790	0.000	1	109.2790	0.000	1	109.8217	0.237	6	108.9428	4.405	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	110.3340	0.000	1	110.3340	0.000	1	110.3340	0.000	1	108.9428	4.405	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)	C[5,6](C[5,6]C[6]N[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CH3){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	108.9428	4.405	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:Cl-1:Cl-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H)	C(C[5,6]C[5,6]2C[6])(Cl)2(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CCl2H){3|C<4>,8|H<1>}	C(C[5,6]C[5,6]2C[6])(Cl)2(H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[3,6]HH){1|O<2>,4|C<4>,7|H<1>}	106.6490	0.000	1	106.6490	0.000	1	106.6490	0.000	1	106.6490	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)2(O)	C[5,6](C[5,6]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)2(O){1|O<1>,2|C<4>,5|H<1>}	113.6250	0.000	1	113.6250	0.000	1	114.0965	0.445	2	114.0965	0.445	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O)	C[5,6](C[5,6]C[5,6]O)(C[5]O[5]HH)(C[6]C[6]CH)(CH3){2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[6]O[5]C)(O){2|C<4>,5|H<1>}	114.5680	0.000	1	114.5680	0.000	1	114.0965	0.445	2	114.0965	0.445	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:2:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5])	C[5,6](C[5,6]C[5,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,5]N[5,6]H)(C[5,6]C[5]C[6]C)(N[5]O[5]){1|O<2>,3|C<4>,5|H<1>}	110.4160	0.000	1	110.4160	0.000	1	110.4160	0.000	1	110.3965	0.001	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:2:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	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[5,6](C[5,6]C[6,6]N[5])(C[5]O[5]HH)(C[6]C[6]HH)(CH3){1|C<4>,1|N<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	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>}	110.3770	0.000	1	110.3770	0.000	1	110.3770	0.000	1	110.3965	0.001	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(C[5]O[5]HH)(CH3){1|H<1>,1|O<2>,4|C<4>}	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,3|C<4>,8|H<1>}	112.1450	0.000	1	112.1450	0.000	1	111.6233	0.206	3	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HH)(CH3)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HH)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|O<2>,2|C<4>,7|H<1>}	111.3170	0.000	1	111.3170	0.000	1	111.6233	0.206	3	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5,6]C[5,6]ClC)(C[5]O[5]HO)(CH3){1|C<3>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|Cl<1>,1|C<3>,2|C<4>,2|O<2>,6|H<1>}	111.4080	0.000	1	111.4080	0.000	1	111.6233	0.206	3	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,6|H<1>}	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[6,6]C[5]H)(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	113.8140	0.434	2	113.8140	0.188	2	113.8140	0.188	2	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	112.0580	0.000	1	112.1960	0.036	3	112.1960	0.036	3	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,3|C<4>,6|H<1>}	112.2650	0.209	2	112.1960	0.036	3	112.1960	0.036	3	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	111.1970	0.000	1	111.1970	0.000	1	111.1970	0.000	1	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|O<1>,2|C<4>,5|H<1>}	113.6520	0.000	1	113.6520	0.000	1	111.1331	5.779	7	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	113.4920	0.000	1	113.4920	0.000	1	111.1331	5.779	7	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	108.8945	0.199	2	108.8945	0.039	2	111.1331	5.779	7	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	109.8780	0.000	1	109.8780	0.000	1	111.1331	5.779	7	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CO)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.2410	0.000	1	109.2410	0.000	1	111.1331	5.779	7	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(C[5]C[5]C){3|C<4>,6|H<1>}	113.8800	0.000	1	113.8800	0.000	1	111.1331	5.779	7	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]C){4|C<4>,8|H<1>}	108.9790	0.000	1	108.9790	0.000	1	110.7411	2.601	10	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	112.1420	0.000	1	112.1420	0.000	1	110.7411	2.601	10	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[3x6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	112.9110	0.000	1	112.9110	0.000	1	110.7411	2.601	10	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	112.5390	0.000	1	110.9840	2.171	5	110.7411	2.601	10	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	110.9390	1.457	3	110.9840	2.171	5	110.7411	2.601	10	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5a]C[5]H)(C[6]C[6]HH)(CH3){2|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,2|C<3>,2|C<4>,7|H<1>}	109.5640	0.000	1	110.9840	2.171	5	110.7411	2.601	10	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	109.2295	0.286	2	109.2295	0.082	2	110.7411	2.601	10	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH)	C[5,6](C[5,6]C[5,6]C)(C[6]C[6,6]HH)(C[5]C[5]HO)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5]C[6]C)(CHH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C)	C[5,6](C[5,6]C[5]C[6])(C[6]C[3,6]HH)(C[5]N[5]HH)(CH3){1|S<4>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]N[5]HH)(C[6]C[6]C){1|C<3>,1|C<4>,1|S<4>,5|H<1>}	109.1230	1.274	2	109.1230	1.624	2	109.1230	1.624	2	111.3565	3.779	29	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:4:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6,6]-4:C[5,6]-4:C[5]-4:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CH)(C[6]C[6]HH)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<3>,3|C<4>,8|H<1>}	112.2350	0.000	1	112.2350	0.000	1	112.2350	0.000	1	112.2350	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:2:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO)	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(CHHO){1|C<3>,1|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OC)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]C)(C[6]C[6]H){2|C<4>,6|H<1>}	105.3410	0.000	1	105.3410	0.000	1	105.3410	0.000	1	105.3410	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:2:1:1:	4:3:4:	C[5,6]-3:C[5,6]-4:C[6]-4:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	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)	C(C[5,6]C[5,6]2C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH)	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>}	C(C[5,6]C[5,6]2C[6])(OH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	106.4720	0.000	1	106.4720	0.000	1	106.4720	0.000	1	106.4720	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:2:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C-2:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]HH)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CCHH){1|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	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>}	108.8515	0.227	2	108.8515	0.052	2	108.8515	0.052	2	108.8515	0.052	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:3:1:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C[6]-3:H-1:H-1:	C[5,6]-4:C[6]-3:O[5]-2:	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH)	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5])	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(CC[6]HH){1|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[6]C[3,6]C[6])(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(O[5]C[5]){1|O<1>,3|C<4>,4|H<1>}	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	110.4690	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[5]-3:N[6]-3:	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C)	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]CH)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCH)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]H)(N[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	110.0740	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C[6]-4:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H)	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(CCHH){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CNO)(H)2	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CC)(C[5]C[5]H){1|C<3>,2|C<4>,6|H<1>}	115.9080	0.000	1	115.9080	0.000	1	115.9080	0.000	1	115.9080	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	3:4:4:4:	4:3:2:1:	4:4:3:	C[5,6]-3:C[6]-4:C[5]-4:C-4:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(C[5]C[5]CH)(CCHO){2|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	C[5,6](C[5,6]C[5,6]C[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|O<2>,3|C<4>,8|H<1>}	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	110.2600	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	3:4:2:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){2|N<2>,3|C<3>}	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5]){1|C<4>,2|S<2>,3|C<3>}	111.2570	0.000	1	111.2570	0.000	1	111.1665	0.016	2	111.1665	0.016	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	3:4:2:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5a,6]-3:C[5,6]-4:N[5]-2:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5])	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5a,6]N[5])(S[5]C[5])(CH3){1|N<2>,1|S<2>,3|C<3>}	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5]C)(N[5]C[5]){1|C<4>,1|N<2>,1|S<2>,3|C<3>}	111.0760	0.000	1	111.0760	0.000	1	111.1665	0.016	2	111.1665	0.016	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){2|C<4>,4|C<3>}	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]C){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	108.1395	0.363	2	108.1395	0.132	2	108.0113	0.697	12	108.0113	0.697	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	107.3340	0.099	4	107.9857	0.833	10	108.0113	0.697	12	108.0113	0.697	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Fe<8>,1|C<4>,1|H<1>,3|C<3>}	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Fe<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	109.1325	1.371	2	107.9857	0.833	10	108.0113	0.697	12	108.0113	0.697	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|C<3>,1|S<2>,2|F<1>,4|C<4>}	107.5210	0.208	2	107.9857	0.833	10	108.0113	0.697	12	108.0113	0.697	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3)	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CH3){1|Ru<8>,1|C<4>,1|H<1>,3|C<3>}	C(C[5,6]C[5,6]2S[5])(H)3	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|Ru<8>,1|C<3>,1|S<2>,2|F<1>,3|C<4>}	108.6070	0.110	2	107.9857	0.833	10	108.0113	0.697	12	108.0113	0.697	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5,6]-3:N[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5]N[6]C)2(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6])(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5]N[6]C)2(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	116.6600	0.078	2	116.6600	0.006	2	116.6600	0.006	2	116.6600	0.006	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|C<3>,3|H<1>,6|C<4>}	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	111.6160	0.000	1	107.6013	12.196	3	107.6013	12.196	3	107.6013	12.196	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:O[5]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3)	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]C[5])(O[5]C[5,6])(CH3){1|O<2>,3|H<1>,7|C<4>}	C(C[5,6]C[5,6]2O[5])(H)3	C[5,6](C[5,6]C[5,6]O[5]C)(C[5,6]C[5]C[6]C)(C[5]C[5]H){1|C<3>,3|C<4>,6|H<1>}	105.5940	0.465	2	107.6013	12.196	3	107.6013	12.196	3	107.6013	12.196	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:2:4:	4:4:1:1:	4:3:3:	C[5,6]-4:C[5,6]-3:S[5]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[5]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH)	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(S[5]C[5])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6]C[5])(C[5]C[5]H){1|S<2>,2|C<3>,2|F<1>,3|C<4>}	109.2295	0.886	2	109.2295	0.785	2	109.2295	0.785	2	109.2295	0.785	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	3:4:3:	C[6]-4:C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6]-4:C[6]-3:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]N[5,6]C[6])(C[5,6]C[5]C[6]C)(C[6]C[6,6]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	110.4580	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,3|C<3>,3|O<2>}	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	107.8840	0.000	1	107.8840	0.000	1	107.8840	0.000	1	107.8840	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[3x5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3)	C(C[5,6]C[3x5,6]C[5,6]C[6])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6]C[3x5,6]C[6]C)(O)	C[5,6](C[3x5,6]C[3x5,6]2C[5])(C[5,6]C[5,5,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|O<2>,3|H<1>,5|C<4>}	C(C[5,6]C[3x5,6]C[5,6]C[6])(H)3	C[5,6](C[5,5,6]C[3x5,6]C[5,6]C)(C[5,6]C[3x5,6]C[6]C)(O){1|C<3>,1|H<1>,1|O<2>,5|C<4>}	114.5540	0.000	1	114.5540	0.000	1	114.5540	0.000	1	114.4000	0.021	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5,6]-3:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5]N[6]C)2(O)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(N[6]N[6]C)(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5,6](C[5,6]C[5]N[6]C)2(O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	114.3230	0.079	2	114.3230	0.006	2	114.3230	0.006	2	114.4000	0.021	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:3:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6])(C[6]C[6]O)(CCHH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,8|H<1>}	C(C[5,6]C[5,6]2C[6])(CCHH)(H)2	C[5,6](C[5,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|H<1>,2|O<1>,4|C<4>}	110.0120	0.000	1	110.0120	0.000	1	110.0120	0.000	1	110.0120	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6,6]O)(CH3)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6]H)(H)3	C[5,6](C[5,5,6,6]C[5,6,6]C[5,5]C[6])(C[5,6]C[5,5,6]CH)(O){1|C<4>,2|C<3>,3|H<1>,3|O<2>}	114.7959	0.181	8	114.7959	0.033	8	114.7959	0.033	8	114.7959	0.033	8	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CCHH)(H){1|C<4>,5|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]O)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(O){1|C<4>,5|H<1>}	112.5210	0.000	1	112.5210	0.000	1	112.5210	0.000	1	112.5210	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,5,6]-4:C[5,6]-3:C-4:H-1:	C[5,6]-4:C-4:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHN)	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]C)(CCHH)(H){1|C<3>,2|H<1>}	C(C[5,6]C[5,5,6]C[5,6]H)(CCHN)(H)2	C[5,6](C[5,5,6]C[5,6]O[5,5]H)(C[5,6]C[5,5,6]CH)(CHN){1|C<3>,2|H<1>}	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	3:3:4:	C[4,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-3:C[5,6a]-3:C[5,6]-4:	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3)	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C)	C[5,6](C[4,5]C[5,6a]C[4,5]C[4])(C[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,6|C<3>}	C(C[5,6]C[4,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[5,6]C[4,5]C[6]C){2|H<1>,3|C<4>,7|C<3>}	109.6025	1.132	2	109.6025	1.282	2	109.6025	1.282	2	109.6025	1.282	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:2:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[6]O[5])(C[6]C[6]CH)(CH3){2|C<3>,3|H<1>,4|C<4>}	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	107.4850	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]O)(C[6]C[6]H){1|O<1>,3|C<4>,3|H<1>}	107.1770	0.000	1	107.1770	0.000	1	107.1770	0.000	1	109.6439	0.784	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)(CH3)	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H)	C[5,6](C[5,5,6]C[5,5,6]C[5]O[5])(C[5,6]C[5]C[6])(C[5]O[5]HH)(CH3){1|O<1>,3|H<1>,5|C<4>}	C(C[5,6]C[5,5,6]C[5,6]C[5])(H)3	C[5,6](C[5,6]C[5,5,6]C[5]C)(C[5]O[5]O)(C[6]C[6]H){1|O<2>,2|C<4>,4|H<1>}	109.6650	0.000	1	109.6650	0.000	1	109.6650	0.000	1	109.6439	0.784	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]O[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,5|H<1>}	109.8504	0.405	8	109.8504	0.164	8	109.9390	0.214	9	109.6439	0.784	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H)	C[5,6](C[5]C[6a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]O)(C[6]C[6]H){1|C<4>,2|C<3>,6|H<1>}	110.6480	0.000	1	110.6480	0.000	1	109.9390	0.214	9	109.6439	0.784	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-3:	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O)	C[5,6](C[5]C[5a]O[5]H)(C[5,6]C[5]C[6])(C[6]C[5a,6]HH)(CH3){1|C<4>,1|O<1>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O){1|N<3>,2|C<3>,3|H<1>}	109.4340	0.000	1	109.4340	0.000	1	109.4340	0.000	1	109.6439	0.784	12	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CH3){1|O<2>,4|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5,6]C[5,6]C[6])(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	111.5280	0.000	1	111.5280	0.000	1	111.5280	0.000	1	111.6155	0.015	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:3:4:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C[6]-4:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HO)(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5a]C[5])(C[6]C[6]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	111.6155	0.015	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2{2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O){1|C<4>,5|H<1>}	110.2285	0.808	2	110.2285	0.653	2	110.7966	2.288	9	111.1613	3.364	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CH3)2{1|C<4>,1|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(O){1|C<4>,5|H<1>}	109.8340	1.195	2	109.8340	1.428	2	110.7966	2.288	9	111.1613	3.364	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3)	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O){2|C<4>,4|H<1>}	111.9793	1.050	3	111.9793	1.102	3	110.7966	2.288	9	111.1613	3.364	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]O)(CH3)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]CC)(O)	C[5,6](C[5,5,6]O[5,5]O[5,6]C)(C[5,6]C[5,5,6]O)(CH3)2{1|C<4>,1|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,6,6]O[5,5]H)(C[5,6]C[5,5,6]CC)(O){1|C<4>,1|O<2>,2|C<3>}	110.5530	2.684	2	110.5530	7.205	2	110.7966	2.288	9	111.1613	3.364	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)2(O)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[5,6]O)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)2(O){1|O<2>,3|C<3>,5|H<1>}	114.4440	0.000	1	114.4440	0.000	1	114.4440	0.000	1	111.1613	3.364	10	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:2:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-2:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]O[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]O[5])	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]O[5]HH)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]O[5]){2|C<4>,5|H<1>}	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	107.7530	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[3,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]C[3]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H){1|O<2>,2|C<4>,5|H<1>}	113.1700	0.000	1	113.1700	0.000	1	113.1700	0.000	1	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[3x5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3)	C(C[5,6]C[3x5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O)	C[5,6](C[3x5]C[3x5]C[5]O[5])(C[5,6]C[5]C[6])(C[6]O[6]HH)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[3x5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[3x5]C[6]C)(C[5]C[3x5]HH)(C[6]C[6]O){1|O<1>,2|H<1>,2|O<2>,3|C<4>}	110.7430	0.000	1	110.7430	0.000	1	110.7430	0.000	1	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(CHH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(CH3)2{1|C<4>,1|O<2>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]CC)(CHH){1|C<4>,5|H<1>}	111.4942	0.738	6	111.4942	0.545	6	111.9202	1.839	8	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]C)(CH3)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CBr2)	C[5,6](C[5,5,6]C[5,5]C[5,6]O)(C[5,6]C[5,5,6]C)(CH3)2{2|Br<1>,1|C<4>,3|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CC)(CBr2){2|Br<1>,1|C<4>,1|O<2>,2|H<1>}	113.1985	2.406	2	113.1985	5.790	2	111.9202	1.839	8	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(CH3)2	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6])	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C[6])(CH3)2{1|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(H)3	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(C[6]C[6,6]C[6]){1|C<4>,1|P<4>,3|C<3>,6|H<1>}	115.8940	4.892	2	115.8940	23.929	2	115.8940	23.929	2	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6,6]-4:C[5]-3:	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)	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]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){1|O<2>,4|C<4>,6|H<1>}	C(C[5,6]C[5,5]C[5,6]C[6])(H)3	C[5,6](C[5,6]C[5,5]C[6]C)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]H){3|O<2>,4|C<4>,5|H<1>}	112.5880	0.000	1	112.5880	0.000	1	112.5880	0.000	1	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|O<2>,4|C<4>,5|H<1>}	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[5]C[6])(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H){1|O<1>,1|O<2>,5|H<1>,7|C<4>}	106.4850	0.298	2	106.4850	0.089	2	106.4850	0.089	2	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[5,6]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]H){1|O<1>,3|C<4>,7|H<1>}	108.1250	0.000	1	108.1250	0.000	1	108.1250	0.000	1	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H)	C[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6])(C[6]C[6]HH)(CH3){1|C<3>,3|C<4>,7|H<1>}	C(C[5,6]C[5,6]2C[6])(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5]-4:C[5,6]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C)	C[5,6](C[5]C[5a]C[5]H)(C[5,6]C[5]C[6])(C[6]C[6]HO)(CH3){2|C<3>,2|C<4>,2|O<2>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HO)(C[6]C[6]C){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	106.9600	0.000	1	106.9600	0.000	1	106.9600	0.000	1	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,4|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	110.6960	0.000	1	110.6960	0.000	1	111.3465	0.846	2	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H){2|C<4>,7|H<1>}	111.9970	0.000	1	111.9970	0.000	1	111.3465	0.846	2	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){1|O<1>,4|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	108.0690	0.000	1	108.6195	0.606	2	108.8743	0.498	3	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){4|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	109.1700	0.000	1	108.6195	0.606	2	108.8743	0.498	3	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:1:1:1:	4:4:3:	C[6,6]-4:C[5,6]-3:C[5]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(C[5]C[5]HH)(CH3){5|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,7|H<1>}	109.3840	0.000	1	109.3840	0.000	1	108.8743	0.498	3	110.9291	8.189	23	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:2:1:1:	4:4:1:	C[5,5,6]-4:C[5,6]-3:C-4:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3)	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CHHO)(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5,6]C)(OC)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(O){2|C<4>,4|H<1>}	105.1613	2.044	3	105.1613	4.178	3	105.1613	4.178	3	105.1613	4.178	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:3:4:4:	4:4:1:1:	3:4:3:	C[5,6]-4:C[5,6]-3:S[5]-4:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5,6]-4:C[6]-3:	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH)	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C)	C[5,6](C[5,6]C[5,6]S[5]C)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(CCHH){1|C<2>,2|O<1>,5|C<3>}	C(C[5,6]C[5,6]2S[5])(CH3)(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]S[5]C)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,1|S<4>,2|O<1>,3|C<3>}	109.4025	0.521	2	109.4025	0.272	2	109.4025	0.272	2	109.4025	0.272	2	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)2(O)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,2|H<1>,4|C<3>}	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)2(O){1|O<2>,4|C<3>,4|H<1>}	115.3655	0.189	2	115.1727	0.129	3	115.1727	0.129	3	115.1727	0.129	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3)	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)2(O)	C[5,6](C[5,6]O[5,6]C[5]H)(C[5]C[6a]C[5]H)(C[5,6]C[5,6]O)(CH3){2|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]2C[5])(H)3	C[5,6](C[5,6]C[5,6]C[5]C)2(O){1|O<2>,3|C<3>,5|H<1>}	114.7870	0.000	1	115.1727	0.129	3	115.1727	0.129	3	115.1727	0.129	3	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:2:	C[3,5]-4:C[6,6]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-2:	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(CH3)	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6])	C[5,6](C[3,5]C[3,5]C[3]H)(C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6])(CH3){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[5,6]C[3,5]C[5,6]C[6,6])(H)3	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6]){1|O<1>,3|C<4>,3|H<1>}	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	111.6540	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:4:3:	C[3,5]-4:C[3,6]-4:C[5,6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:P[5]-4:C[6]-3:	C[5,6](C[3,5]C[3,5]O[3]C)(C[3,6]C[3,6]O[3]C)(C[5,6]C[6]P[5])(CH3)	C(C[5,6]C[3,5]C[3,6]C[5,6])(H)3	C[5,6](C[5,6]C[3,5]C[3,6]C)(P[5]C[3,5]C[6a]W)(C[6]C[6]H)	C[5,6](C[3,5]C[3,5]O[3]C)(C[3,6]C[3,6]O[3]C)(C[5,6]C[6]P[5])(CH3){1|W<6>,2|H<1>,3|C<3>}	C(C[5,6]C[3,5]C[3,6]C[5,6])(H)3	C[5,6](C[5,6]C[3,5]C[3,6]C)(P[5]C[3,5]C[6a]W)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,3|C<3>}	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	108.5030	0.000	1	111.1940	8.418	291	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	2:2:3:4:	4:1:1:1:	4:2:1:	O[5,6]-2:O[6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3)	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(O)	C[5,6](O[5,6]C[5,6])(O[6]C[6,6a])(C[5]O[5]O)(CH3){1|H<1>,2|C<3>}	C(C[5,6]O[5,6]C[5]O[6])(H)3	C[5](C[5,6]O[5,6]O[6]C)(O[5]C[5,6])(O){1|H<1>,2|C<3>}	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	116.1810	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	2:3:3:4:	4:1:1:1:	4:3:4:	O[5,6]-2:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO)	C[5,6](O[5,6]C[5,6])(C[6]C[6]Br)(C[5]C[5]C)(CH3){1|Br<1>,1|C<3>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CHHO){1|Br<1>,1|H<1>,2|C<3>}	116.1930	0.000	1	116.1930	0.000	1	116.1930	0.000	1	116.1930	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	2:3:4:4:	4:1:1:1:	4:4:1:	O[5,6]-2:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](O[5,6]C[5,5,6])(C[5]C[5,5]O)(C[6]C[6]HO)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(O)	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>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5](C[5,5]C[5,5,6]C[5]H)(C[5,6]O[5,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	113.3100	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	2:4:3:4:	4:1:1:1:	4:3:4:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	2:4:3:4:	4:1:1:1:	4:4:3:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(CHH){1|C<4>,2|H<1>,4|C<3>}	115.0085	0.590	2	115.0085	0.349	2	115.0085	0.349	2	115.0085	0.349	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	2:4:3:4:	4:3:1:1:	4:2:1:	O[5,6]-2:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	C(C[5,6]O[5,6]C[5]C[6])(COO)(H)2	C[5](C[5,6]O[5,6]C[6]C)(O[5]Ga[5,5,6,6])(O)	C[5,6](O[5,6]Ga[5,5,6,6])(C[6]C[6]HH)(C[5]O[5]O)(CCHH){1|O<1>,4|O<2>}	C(C[5,6]O[5,6]C[5]C[6])(COO)(H)2	C[5](C[5,6]O[5,6]C[6]C)(O[5]Ga[5,5,6,6])(O){1|C<3>,2|H<1>,4|O<2>}	112.0660	0.000	1	112.0660	0.000	1	112.0660	0.000	1	112.0660	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:2:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C(C[5,6]C[6,6a]O[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]O[5,6]C)(C[5]C[5,6]C[6a])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[6,6a]O[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]O[5,6]C)(C[5]C[5,6]C[6a])(H){1|C<4>,5|C<3>}	116.0440	0.587	2	116.0440	0.344	2	116.0440	0.344	2	116.0440	0.344	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:2:3:4:	4:1:1:1:	4:3:4:	C[5,6]-3:Se[6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]Se[6]C[5])(H)3	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]Se[6]C[5])(Se[6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,3|C<4>}	C(C[5,6]C[5,6]Se[6]C[5])(H)3	C[5](C[5,6]C[5,6]Se[6]C)(C[5]C[5]C)(CH3){1|Se<2>,1|C<3>,1|C<4>}	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	114.4740	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:2:3:4:	4:4:3:1:	4:3:3:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C-4:N-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){1|C<4>,2|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	115.8840	0.000	1	115.5635	0.205	2	115.5635	0.205	2	115.5635	0.205	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:2:3:4:	4:4:3:1:	4:3:3:	C[5]-3:O[5,6]-2:C[6]-3:C-4:	C[5,6]-4:C-4:N-3:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN)	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2)	C[5,6](C[5]C[6a]C[5])(O[5,6]C[5,6])(C[6]C[6]H)(CCHN){3|C<3>,3|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(CCHH)(NCH)(H)	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	115.2430	0.000	1	115.5635	0.205	2	115.5635	0.205	2	115.5635	0.205	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:2:4:	4:1:1:1:	3:4:1:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3)	C(C[5,6]N[5,6]C[5]O[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(O)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(O[6]C[6,6a])(CH3){1|O<1>,4|C<3>}	C(C[5,6]N[5,6]C[5]O[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]O[6]C)(O){1|H<1>,4|C<3>}	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	109.6210	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:2:4:	4:4:1:1:	4:3:1:	N[5,6]-3:C[5]-3:O[6]-2:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH)	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[6a]C[5])(O)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]O)(O[6]C[6])(CCHH){1|O<1>,4|C<3>}	C(C[5,6]N[5,6]C[5]O[6])(CCCH)(H)2	C[5](C[5,6]N[5,6]O[6]C)(C[5]C[6a]C[5])(O){5|C<3>}	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:3:4:	4:1:1:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|H<1>,5|C<3>}	105.2060	0.000	1	105.2060	0.000	1	105.2060	0.000	1	105.2060	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5a,6]-3:C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3)	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5](C[5,6]C[5a,6]C[5,6]C)(N[5]C[6a]N[5])(O)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[6]N[5])(C[5]N[5]O)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5a,6]C[5,6]C[5])(H)3	C[5](C[5,6]C[5a,6]C[5,6]C)(N[5]C[6a]N[5])(O){1|C<4>,1|N<3>,3|C<3>}	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	108.9110	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:2:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:N-2:	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a])	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]N)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]N[5])(NC[6a]){1|H<1>,4|C<3>}	107.9190	0.000	1	107.9190	0.000	1	107.9190	0.000	1	107.9190	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C-4:	C[5,6]-4:F-1:F-1:F-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3)	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]H)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[5,6]C[6,6a]N[5,6]C[5])(F)3	C[5](C[5,6]C[6,6a]N[5,6]C)(C[5]C[5]H)(COO){2|H<1>,3|C<3>}	110.1550	0.000	2	110.1550	0.000	2	110.1550	0.000	2	110.1550	0.000	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3)	C[5,6](C[5,6]C[6]P[5])(C[5]C[5]C)(C[6]C[6]C)(CH3){1|C<4>,1|W<6>,2|C<3>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5]H)(CH3){1|W<6>,4|C<3>}	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.4500	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:3:4:	4:1:1:1:	4:4:1:	C[5,5,6]-3:C[5]-3:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3)	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CC)(O)	C[5,6](C[5,5,6]C[5,5,6]N[5])(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CC)(O){1|N<2>,2|C<3>,2|C<4>}	117.0030	0.000	1	117.0030	0.000	1	117.0030	0.000	1	117.0030	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:4:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH)	C(C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:3:4:	4:4:1:1:	4:2:1:	C[5a,6]-3:N[5,6]-3:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:S[5]-2:O-1:	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(S[5]C[5])(O)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5]C[6])(C[5]S[5]O)(CCHH){1|C<4>,1|S<1>,2|C<3>,3|H<1>}	C(C[5,6]C[5a,6]N[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]C[5a,6]N[5,6]C)(S[5]C[5])(O){1|C<3>,1|C<4>,1|N<3>,1|S<1>}	107.9835	0.677	4	107.9835	0.458	4	107.9835	0.458	4	107.9835	0.458	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,3|C<3>}	102.9560	0.000	1	102.9560	0.000	1	102.9560	0.000	1	102.9560	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6,6]C)(C[5]C[5,5,6]O)(C[6]C[6,6]HH)(CH3){1|O<2>,2|C<4>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,5,6]C[5,5,6,6]C[5]O[6])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:4:4:	4:2:1:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C-2:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]HH)(CCHH){3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	106.3660	0.000	1	106.3660	0.000	1	106.3660	0.000	1	106.3660	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:3:4:4:	4:4:2:1:	4:3:3:	C[5,6]-3:C[5]-3:C[6]-4:C-4:	C[5,6]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-3:C[6a]-3:	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO)	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[6a]C[5])(C[6]C[6,6]HH)(CCHO){2|C<3>,2|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(CC[6]HH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(C[6a]C[6a]2){2|C<3>,5|C<4>,5|H<1>}	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	106.9830	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	3:4:1:	C[5,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3)	C(C[5,6]C[5,6]2C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O)	C[5,6](C[5,6]C[5,6a]C[5,6])(C[5,6]C[5,6]C[5]H)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]2C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(O){2|C<4>,2|H<1>,3|C<3>}	103.5330	0.000	1	103.5330	0.000	1	103.5330	0.000	1	105.5270	7.952	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,2|H<1>,4|C<3>}	107.5210	0.000	1	107.5210	0.000	1	107.5210	0.000	1	105.5270	7.952	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,2|H<1>}	109.1170	0.000	1	109.1170	0.000	1	109.1170	0.000	1	110.0675	1.807	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:2:1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5,6])(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,3|H<1>}	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	110.0675	1.807	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H)	C[5,6](C[5,6,6]C[5,6,6]C[5,6])(C[6]C[6]CH)(C[5]C[5]H)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]C[5a])(H){1|H<1>,3|C<3>,3|C<4>}	111.6310	0.000	1	111.6310	0.000	1	111.6310	0.000	1	109.7565	6.477	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]CH)(C[5]C[5]H)(CH3){2|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(H){2|C<3>,2|C<4>,2|H<1>}	108.0035	0.948	4	108.0035	0.898	4	108.0035	0.898	4	109.7565	6.477	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|H<1>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	105.8890	0.000	1	105.8890	0.000	1	105.8890	0.000	1	109.7565	6.477	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<2>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.3880	0.000	1	109.3880	0.000	1	109.3880	0.000	1	109.7565	6.477	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[6a]C[5])(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]O[6]C)(C[5]C[5]H)(CH3){1|N<3>,3|C<3>,3|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	109.8870	0.000	1	109.8870	0.000	1	112.2503	4.468	3	109.7565	6.477	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5,6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]N[5,6]HH)(C[5]C[5]H)(CH3){1|S<4>,2|C<3>,2|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]N[5,6]H)(H){1|S<4>,2|C<3>,2|H<1>}	113.4320	0.747	2	113.4320	0.558	2	112.2503	4.468	3	109.7565	6.477	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(N[5]C[5,6]C)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(N[5]C[5,6]C)(O){1|C<4>,2|C<3>,3|H<1>}	111.6490	0.000	1	111.6490	0.000	1	111.6490	0.000	1	109.7565	6.477	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.1680	0.000	1	114.4770	0.078	3	114.3785	0.091	4	112.7728	22.762	16	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	114.5530	0.000	1	114.4770	0.078	3	114.3785	0.091	4	112.7728	22.762	16	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HH)(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	114.7100	0.000	1	114.4770	0.078	3	114.3785	0.091	4	112.7728	22.762	16	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,5,6]C)(C[6]C[6,6]HO)(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,5]C[5,5,6]C[5]O)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	114.0830	0.000	1	114.0830	0.000	1	114.3785	0.091	4	112.7728	22.762	16	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<3>,3|H<1>}	115.1790	0.000	1	115.6259	0.338	8	115.6259	0.338	8	112.7728	22.762	16	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	115.6897	0.597	7	115.6259	0.338	8	115.6259	0.338	8	112.7728	22.762	16	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[4,6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	103.7670	0.000	1	103.7670	0.000	1	102.2130	4.830	2	112.7728	22.762	16	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6])(C[5,6]C[5]C[6]C)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){1|C<3>,1|H<1>,4|C<4>}	100.6590	0.000	1	100.6590	0.000	1	102.2130	4.830	2	112.7728	22.762	16	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]CH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|O<2>,4|C<3>,5|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]CH)(O){1|C<4>,2|H<1>,3|C<3>}	107.5950	0.000	1	107.5950	0.000	1	108.7085	2.480	2	112.7728	22.762	16	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<4>,2|C<3>,6|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(H)3	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5]ClH)(O){1|C<4>,2|C<3>,3|H<1>}	109.8220	0.000	1	109.8220	0.000	1	108.7085	2.480	2	112.7728	22.762	16	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	N[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CCHH)	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5,6]N[5,6]C[5]C[6])(CCH)(H)2	C[5](C[5,6]N[5,6]C[6]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	109.7730	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:4:1:1:	4:3:3:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(CCHH){3|C<4>,4|C<3>,4|H<1>}	C(C[5,6]C[6,6a]C[5,6]C[5])(CCHH)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[6a]C[6a]2)(C[5]C[5]C){2|C<4>,4|C<3>,4|H<1>}	113.9100	0.000	1	113.9100	0.000	1	113.9100	0.000	1	113.9100	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-3:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O)	C[5,6](C[5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]HH)(O){1|O<1>,2|C<4>,3|H<1>}	116.1780	0.000	1	116.1780	0.000	1	116.1780	0.000	1	114.8580	3.485	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH)	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]C[6a]H)(O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(C[5,6]C[6,6a]C[5,6]C[5])(CHHN)(H)2	C[5](C[5,6]C[6,6a]C[5,6]C)(C[5]C[5,6]C[6a]H)(O){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	113.5380	0.000	1	113.5380	0.000	1	113.5380	0.000	1	114.8580	3.485	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3)	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(O[5,6]C[5,6])(C[5]C[5]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C(C[5,6]C[6,6]O[5,6]C[5])(H)3	C[5](C[5,6]C[6,6]O[5,6]C)(C[5]C[5,6]H)(H){1|C<3>,1|H<1>,3|C<4>}	116.3540	0.096	2	116.3540	0.009	2	116.3540	0.009	2	116.3540	0.009	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:4:	C[5,6]-4:O[6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(O[6]C[6,6a])(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>}	113.4260	0.000	1	113.4260	0.000	1	113.4260	0.000	1	114.5040	2.324	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:4:	C[6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3)	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	C[5,6](C[6]C[6]N[5]H)(O[5,6]C[5,6])(C[5]C[5]C)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5,6]O[5,6]C[5]C[6])(H)3	C[5](C[5,6]O[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	115.5820	0.000	1	115.5820	0.000	1	115.5820	0.000	1	114.5040	2.324	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:2:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:O[5,6]-2:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(O[5,6]C[5,5,6])(C[5]C[5,5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]O[5,6]C[5])(H)3	C[5](C[5,5]C[5,5,6]O[5]H)(C[5,6]C[5,6]O[5,6]C)(O){1|C<3>,1|H<1>,4|C<4>}	114.5210	0.000	1	114.5210	0.000	1	114.5210	0.000	1	114.5210	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:2:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:O[6]-2:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3)	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]O[6])(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]CO)(O){1|C<3>,2|C<4>,2|H<1>}	113.0160	0.044	2	113.0160	0.002	2	113.0160	0.002	2	113.0160	0.002	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]C)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	110.6475	1.521	2	110.6475	2.313	2	110.4133	0.937	4	109.3732	6.111	5	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	3:4:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[5]C[5,6a]O)(C[6]C[6,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	110.1790	0.526	2	110.1790	0.277	2	110.4133	0.937	4	109.3732	6.111	5	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	3:4:1:	C[6]-4:C[5,6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	N[5,6]-3:C[5,6]-4:O-1:	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[6]C[6,6]C[6a]H)(C[5,6]C[5,6]C[6])(C[5]N[5,6]O)(CH3){1|C<4>,2|H<1>,5|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](N[5,6]C[6,6a]C[5,6])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,1|H<1>,5|C<3>}	105.2130	0.000	1	105.2130	0.000	1	105.2130	0.000	1	109.3732	6.111	5	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<4>,2|C<3>,3|H<1>}	107.6890	0.000	1	107.6890	0.000	1	107.7085	0.001	2	107.8567	0.030	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){3|H<1>,4|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|O<1>,2|H<1>,3|C<4>}	107.7280	0.000	1	107.7280	0.000	1	107.7085	0.001	2	107.8567	0.030	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(C[6]C[6]O)(CH3){1|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	108.0050	0.000	2	108.0050	0.000	2	108.0050	0.000	2	107.8567	0.030	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	103.6770	0.000	1	103.6770	0.000	1	103.6770	0.000	1	109.9522	15.518	5	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	111.0480	0.991	2	110.5827	1.141	3	110.5827	1.141	3	109.9522	15.518	5	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]O)(C[6]C[6]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	109.6520	0.000	1	110.5827	1.141	3	110.5827	1.141	3	109.9522	15.518	5	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:N[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5](C[5,6]C[5,6]N[6]C)(N[5]C[5,6]C[6a])(O)	C[5,6](C[5,6]C[5,6]HH)(N[6]C[6,6a]H)(C[5]N[5]O)(CH3){4|C<3>}	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5](C[5,6]C[5,6]N[6]C)(N[5]C[5,6]C[6a])(O){3|H<1>,5|C<3>}	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1	109.9522	15.518	5	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CIS)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CIS){1|O<1>,2|C<4>,3|H<1>}	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	107.8810	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO)	C[5,6](C[5,6]C[3,6,6]C[5]C)(C[5]C[5]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3)	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]C)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	116.6490	0.000	1	116.6490	0.000	1	114.7087	2.932	3	113.3293	9.566	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5]-3:N[6]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3)	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O)	C[5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5]C[5]O)(N[6]C[6]H)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5]N[6])(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	113.7385	0.465	2	113.7385	0.216	2	114.7087	2.932	3	113.3293	9.566	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]O)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	109.1910	0.000	1	109.1910	0.000	1	109.1910	0.000	1	113.3293	9.566	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-3:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CIS)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[5,6]O)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CIS){1|O<1>,2|C<4>,3|H<1>}	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	108.4180	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:3:2:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C[6a]-3:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[5]N[5]O)(C[6]C[6]C)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(OSi)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	105.2865	1.020	2	105.2865	1.041	2	105.2865	1.041	2	105.2865	1.041	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:3:4:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5]-3:C[6]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCH)	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]C)(C[6]C[6]O)(CCHH){1|C<3>,2|O<2>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HO)(CCH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	116.6635	0.077	2	116.6635	0.006	2	116.6635	0.006	2	116.6635	0.006	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	104.5005	0.299	2	104.5005	0.089	2	107.4777	26.635	3	107.4777	26.635	3	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	113.4320	0.000	1	113.4320	0.000	1	107.4777	26.635	3	107.4777	26.635	3	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[6a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[6a]C[6a,6a]C[6a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,6|H<1>}	106.2270	0.000	1	106.2270	0.000	1	106.2270	0.000	1	105.9425	0.162	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	N[5a]-3:C[5,6]-4:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](N[5a]C[5a,6a]N[5a])(C[5,6]C[5,6]C[6]C)(C[5]C[5]H){2|C<4>,3|C<3>,5|H<1>}	105.6580	0.000	1	105.6580	0.000	1	105.6580	0.000	1	105.9425	0.162	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[6a]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[6a]C[5])(C[6]C[6]HH)(CH3){2|C<3>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]C[5]H){1|C<3>,1|N<2>,2|C<4>,7|H<1>}	108.9150	0.100	3	108.9150	0.010	3	108.9150	0.010	3	108.4822	0.756	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5a]-3:C[5]-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]N[5a]C[5])(C[6]C[6]HH)(CH3){1|C<3>,1|N<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5a]C[5a]N[5a])(C[5]C[5]H){2|C<3>,2|C<4>,6|H<1>}	107.1840	0.000	1	107.1840	0.000	1	107.1840	0.000	1	108.4822	0.756	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,6|H<1>}	106.5605	0.090	2	106.9757	0.521	3	106.5778	1.018	6	108.0130	8.080	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,6|H<1>}	107.8060	0.000	1	106.9757	0.521	3	106.5778	1.018	6	108.0130	8.080	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[3,5]C[6,6]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[3,5]C[3,5]O[3]H)(C[5,6]C[5,6]C[6]C)(O){2|C<4>,4|H<1>}	106.8890	0.290	2	106.8890	0.084	2	106.5778	1.018	6	108.0130	8.080	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[3,5]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[3,5]C[3,5]2C[5])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[3,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[3,5]C[3,5]2C[5])(C[5,6]C[5,6]C[6]C)(O){4|C<4>,7|H<1>}	104.7620	0.000	1	104.7620	0.000	1	106.5778	1.018	6	108.0130	8.080	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5,5]O)(C[6]C[6]HH)(CH3){4|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]3)(O){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	104.1420	0.000	1	104.1420	0.000	1	108.7900	10.217	4	108.0130	8.080	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	111.3290	0.000	1	110.3393	0.923	3	108.7900	10.217	4	108.0130	8.080	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O)	C[5,6](C[5,6]C[6]O[5]H)(C[5]C[5,5]O)(C[6]C[6]CH)(CH3){1|C<3>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5,5]C[5]2O[5])(O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	109.8445	0.614	2	110.3393	0.923	3	108.7900	10.217	4	108.0130	8.080	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C[6]-4:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[5]C[5,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6,6a]H)(C[5,6]C[5,6]C[6]C)(O){2|C<3>,2|C<4>,5|H<1>}	113.5160	0.000	1	113.5160	0.000	1	113.5160	0.000	1	108.0130	8.080	11	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O)	C[5,6](C[5,6,6]C[5,6,6a]C[5,6,6]H)(C[6]C[6,6a]CO)(C[5]C[5,6a]O)(CH3){1|C<4>,1|H<1>,4|C<3>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6,6]C[6]C)(O){1|C<2>,1|C<4>,1|O<2>,2|H<1>,3|C<3>}	108.8455	0.060	2	108.8455	0.004	2	108.8455	0.004	2	108.1933	1.278	3	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O)	C[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)(CH3){1|O<1>,4|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(O){1|O<2>,3|H<1>,4|C<3>}	106.8890	0.000	1	106.8890	0.000	1	106.8890	0.000	1	108.1933	1.278	3	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	3:4:2:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-4:N-2:	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3)	C(C[5,6]C[5,6]2C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a])	C[5,6](C[5,6]C[5,6a]O[5,6]H)(C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]N)(CH3){1|N<3>,2|C<4>,4|C<3>}	C(C[5,6]C[5,6]2C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]2C)(NC[6a]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	111.0395	0.958	2	111.0395	0.918	2	111.0395	0.918	2	111.0395	0.918	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,4x6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	C[5](C[5,6]C[5,4x6]C[6]C)(O[5]C[5,3x6])(O)	C[5,6](C[5,4x6]C[5,3x6]C[6,6]O[6,6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){4|C<4>,4|H<1>}	C(C[5,6]C[5,4x6]C[5]C[6])(H)3	C[5](C[5,6]C[5,4x6]C[6]C)(O[5]C[5,3x6])(O){1|O<2>,2|H<1>,4|C<4>}	112.4960	0.000	1	112.4960	0.000	1	112.4960	0.000	1	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-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)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O)	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>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.8910	0.000	1	112.5403	0.893	7	111.6494	7.115	8	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-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)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O)	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>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O){1|O<2>,2|H<1>,4|C<4>}	113.2232	0.547	4	112.5403	0.893	7	111.6494	7.115	8	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-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)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O)	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>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5,6])(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	111.4990	0.069	2	112.5403	0.893	7	111.6494	7.115	8	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(O)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]CH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(O[5]C[5,5])(O){1|O<2>,2|H<1>,4|C<4>}	105.4130	0.000	1	105.4130	0.000	1	111.6494	7.115	8	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[3,6,6]C[5,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	106.7320	0.000	1	106.7320	0.000	1	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	108.9140	0.000	1	108.9140	0.000	1	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-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)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	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>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|O<2>,3|C<4>,3|H<1>}	106.5020	0.000	1	106.5020	0.000	1	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,4|H<1>}	104.3380	1.114	2	105.6689	1.562	15	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,4|H<1>}	105.2000	0.000	1	105.6689	1.562	15	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	105.0657	1.128	3	105.6689	1.562	15	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,4|H<1>}	106.4973	1.121	4	105.6689	1.562	15	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,2|C<4>,4|H<1>}	106.2310	1.300	4	105.6689	1.562	15	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|H<1>,4|C<4>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){3|C<4>,4|H<1>}	105.0470	0.000	1	105.6689	1.562	15	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	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)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O)	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>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5,6])(O){2|H<1>,2|O<2>,3|C<4>}	106.1170	0.000	1	106.1170	0.000	1	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5])(O){1|O<2>,2|C<4>,4|H<1>}	107.1235	0.793	2	108.7383	8.137	3	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<3>,4|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.9680	0.000	1	108.7383	8.137	3	106.3415	3.286	22	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(O)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(O){1|O<2>,3|C<4>,3|H<1>}	113.4140	0.000	1	113.4140	0.000	1	110.5170	5.845	10	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]O[5]O)(CH3){2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(O){1|C<3>,3|C<4>,3|H<1>}	112.8860	0.379	2	112.8860	0.144	2	110.5170	5.845	10	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){1|O<2>,2|C<4>,4|H<1>}	107.1800	0.000	1	107.1800	0.000	1	110.5170	5.845	10	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){1|C<3>,1|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){2|C<4>,5|H<1>}	109.6845	2.481	4	109.6845	6.154	4	110.5170	5.845	10	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]O[5]O)(CH3){1|O<1>,3|C<3>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.9950	0.000	1	109.9950	0.000	1	110.5170	5.845	10	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)(CH3){3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5])(O){2|C<4>,5|H<1>}	110.0710	0.000	1	110.0710	0.000	1	110.5170	5.845	10	108.5457	10.246	41	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:3:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:O[5]-2:C-3:	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]C)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(CCH)	C[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]C)(CH3){2|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(O[5]C[5])(CCH){2|C<3>,2|C<4>,3|H<1>}	112.1875	0.377	2	112.1875	0.142	2	112.1875	0.142	2	112.1875	0.142	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]H)(H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){3|C<4>,5|H<1>}	C(C[5,6]C[5,6,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]H)(H){3|C<4>,4|H<1>}	107.4455	0.436	2	107.4455	0.190	2	107.4455	0.190	2	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:Br-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Br)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Br)(CH3){1|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Br){2|C<4>,5|H<1>}	105.8340	0.000	1	105.8340	0.000	1	105.8340	0.000	1	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:Cl-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]Cl)(CH3){1|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(Cl){2|C<4>,5|H<1>}	106.3389	0.306	7	106.3389	0.093	7	106.3389	0.093	7	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]H)(H)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]H)(H){1|C<3>,2|C<4>,4|H<1>}	114.7150	0.000	1	114.7150	0.000	1	112.4275	10.465	2	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(H){1|O<1>,2|C<4>,3|H<1>}	110.1400	0.000	1	110.1400	0.000	1	112.4275	10.465	2	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:I-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(I)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]I)(CH3){2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(I){2|C<4>,5|H<1>}	109.1960	0.386	2	109.1960	0.149	2	109.1960	0.149	2	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){2|C<4>,4|H<1>}	102.6410	0.000	1	102.6410	0.000	1	105.6061	3.536	15	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(O){2|C<4>,5|H<1>}	105.2099	0.876	12	105.2099	0.768	12	105.6061	3.536	15	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(O){2|C<4>,4|H<1>}	110.0100	0.000	1	110.0100	0.000	1	105.6061	3.536	15	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(O){1|C<3>,1|C<4>,4|H<1>}	108.9210	0.000	1	108.9210	0.000	1	105.6061	3.536	15	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){1|C<4>,2|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]C)(O){1|C<4>,2|C<3>,4|H<1>}	104.7460	0.000	1	104.7460	0.000	1	105.2150	0.440	2	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O){2|C<3>,2|C<4>,5|H<1>}	105.6840	0.000	1	105.6840	0.000	1	105.2150	0.440	2	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:Br-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(Br)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]Br)(CH3){3|C<4>,8|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]H)(Br){3|H<1>,4|C<4>}	105.3130	0.000	1	105.3130	0.000	1	105.3130	0.000	1	106.5056	5.330	32	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:O-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(OS)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(OS){2|C<4>,5|H<1>}	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	107.3320	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){4|C<4>,4|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]H)(CHN){3|H<1>,4|C<4>}	111.0490	0.000	1	111.0490	0.000	1	111.0490	0.000	1	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|C<3>,2|C<4>,4|H<1>}	105.4762	0.124	4	105.4762	0.015	4	106.4969	0.965	18	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH){3|C<4>,4|H<1>}	107.4060	0.000	1	107.4060	0.000	1	106.4969	0.965	18	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCN)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCN){1|C<3>,1|C<4>,5|H<1>}	107.2050	0.000	1	107.2050	0.000	1	106.4969	0.965	18	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|C<3>,1|C<4>,5|H<1>}	107.9230	0.000	1	106.6697	0.628	6	106.4969	0.965	18	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){2|C<4>,5|H<1>}	106.1880	0.723	2	106.6697	0.628	6	106.4969	0.965	18	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){2|C<4>,5|H<1>}	106.5730	0.527	3	106.6697	0.628	6	106.4969	0.965	18	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC[5]Cl)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CC[5]Cl){2|C<4>,5|H<1>}	106.6705	1.617	2	106.6705	2.615	2	106.4969	0.965	18	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CNO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CNO){2|C<4>,5|H<1>}	107.2220	0.000	1	107.2220	0.000	1	106.4969	0.965	18	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|O<1>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCH){2|C<4>,5|H<1>}	105.9305	1.220	2	105.9305	1.488	2	106.4969	0.965	18	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCO){1|O<2>,2|C<4>,4|H<1>}	107.9860	0.000	1	107.9860	0.000	1	106.4969	0.965	18	106.7365	2.002	19	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[6]C[6a]O[6]H)(C[5]C[5]C)(CH3){1|H<1>,1|O<2>,1|P<4>,2|C<4>,3|C<3>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	111.4992	0.526	4	111.4992	0.277	4	111.4992	0.277	4	110.5503	9.648	10	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6,6a]HO)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]H)(CH3){1|O<2>,2|C<3>,4|H<1>}	114.6900	0.000	1	114.6900	0.000	1	109.2206	16.356	5	110.5503	9.648	10	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]C)(CH3){2|C<4>,5|H<1>}	104.6020	0.000	1	104.6020	0.000	1	109.2206	16.356	5	110.5503	9.648	10	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]O[6]HH)(C[5]C[5]C)(CH3){1|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|C<4>,1|O<2>,5|H<1>}	111.7390	0.000	1	111.7390	0.000	1	109.2206	16.356	5	110.5503	9.648	10	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|O<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	108.5750	0.000	1	108.5750	0.000	1	109.2206	16.356	5	110.5503	9.648	10	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]H)(CCCH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	106.4970	0.000	1	106.4970	0.000	1	109.2206	16.356	5	110.5503	9.648	10	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:C-4:	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(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3)	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(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]P[5,6]C[6a])(CH3){1|P<3>,3|H<1>,4|C<3>}	113.4030	0.000	1	113.4030	0.000	1	113.4030	0.000	1	110.5503	9.648	10	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]C[6]H)(O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]C[6]H)(O){2|O<2>,4|C<4>,4|H<1>}	106.9510	0.000	1	106.9510	0.000	1	105.8860	2.268	2	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,7|H<1>}	C(C[5,6]C[3,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[3,5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	104.8210	0.000	1	104.8210	0.000	1	105.8860	2.268	2	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]C[3,5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,5,6]C[3,5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	105.2075	0.084	2	105.2075	0.007	2	105.2427	0.007	3	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|O<2>,7|H<1>}	C(C[5,6]C[5,5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	105.3130	0.000	1	105.3130	0.000	1	105.2427	0.007	3	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]2C[5])(H)3	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[5,6]C[6]O[5]2)(C[5]C[5]O)(CH3){4|C<4>,7|H<1>}	C(C[5,6]C[5,6]2C[5])(H)3	C[5](C[5,6]C[5,6]2C)(C[5]C[5]HH)(O){2|C<4>,2|O<2>,3|H<1>}	105.0780	0.403	2	105.0780	0.162	2	105.0780	0.162	2	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	110.1810	0.000	1	109.7845	0.314	2	109.7845	0.314	2	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:O-1:	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O)	C[5,6](C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5,6]O)(CH3){3|C<3>,4|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,5,6]C[5,6]2C[5])(C[5,6]C[5,6]C[6,6]C)(O){1|N<3>,1|O<1>,1|O<2>,3|C<3>,3|C<4>,3|H<1>}	109.3880	0.000	1	109.7845	0.314	2	109.7845	0.314	2	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[3x5]-4:O-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	110.1433	0.771	3	110.5307	0.997	4	110.5307	0.997	4	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[3x5]-4:O-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[3x5]O)(CH3){2|C<3>,4|H<1>,5|C<4>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[3x5]C[5,5]2C[5])(O){1|C<3>,1|N<3>,1|O<1>,2|O<2>,3|H<1>,4|C<4>}	111.6930	0.000	1	110.5307	0.997	4	110.5307	0.997	4	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,5]-4:O-1:	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,5]C[5]H)(O)	C[5,6](C[5,6]C[5,5]C[6]H)(C[6,6]C[6,6]C[6]H)(C[5]C[5,5]O)(CH3){2|C<3>,3|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,5]C[5,5]C[5]H)(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]B[5]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|O<2>,8|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|B<3>,2|C<4>,4|H<1>}	112.5310	0.000	1	112.5310	0.000	1	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(O)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(O){3|C<4>,4|H<1>}	113.9910	1.080	2	113.9910	1.167	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]BrH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|Br<1>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]BrH)(O){3|C<4>,4|H<1>}	113.2220	0.000	1	113.2220	0.000	1	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]CH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]CH)(O){3|C<4>,4|H<1>}	112.9560	0.376	2	112.9560	0.142	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O){3|C<4>,4|H<1>}	113.9770	0.330	4	113.9770	0.109	4	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]HO)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	114.6640	0.000	1	114.6640	0.000	1	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	105.4490	0.000	1	105.4490	0.000	1	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HO)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.6225	0.063	2	112.6225	0.004	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O){3|C<4>,4|H<1>}	110.3480	0.000	1	110.3480	0.000	1	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	111.2310	0.389	2	111.2310	0.151	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	106.1900	0.000	1	105.1215	0.510	4	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	104.8230	0.000	1	105.1215	0.510	4	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,8|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	104.7020	0.000	1	105.1215	0.510	4	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	104.7710	0.000	1	105.1215	0.510	4	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	104.9575	0.800	2	105.1154	0.232	5	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	105.2207	0.319	3	105.1154	0.232	5	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	103.2790	0.000	1	104.3238	1.594	6	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6a]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|N<3>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	104.5328	1.291	5	104.3238	1.594	6	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O){2|C<3>,2|C<4>,3|H<1>}	106.3965	0.984	2	106.3965	0.967	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	104.9050	0.655	2	104.9050	0.429	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	106.3070	0.000	1	105.2020	2.442	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[3,6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	104.0970	0.000	1	105.2020	2.442	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O){2|C<4>,5|H<1>}	106.2360	0.000	1	106.2360	0.000	1	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,3|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	104.2250	0.000	1	104.7087	0.175	3	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	104.9505	0.002	2	104.7087	0.175	3	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O){2|C<4>,5|H<1>}	104.9400	0.711	2	104.9400	0.506	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|F<1>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	103.5110	0.000	1	104.9045	0.806	107	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	105.2950	0.000	1	104.9045	0.806	107	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	106.7897	0.330	3	104.9045	0.806	107	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	105.3577	0.627	3	104.9045	0.806	107	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	102.7300	0.000	1	104.9045	0.806	107	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	105.5550	0.000	1	104.9045	0.806	107	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	103.3780	0.000	1	104.9045	0.806	107	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,2|O<2>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	104.5090	0.000	1	104.9045	0.806	107	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	104.8775	0.821	95	104.9045	0.806	107	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	105.3220	0.000	1	105.7750	0.410	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	106.2280	0.000	1	105.7750	0.410	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6,6]HH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	105.5420	0.565	4	105.5420	0.319	4	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	103.6760	0.000	1	108.7113	10.675	8	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	107.4510	3.318	3	108.7113	10.675	8	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	110.6260	1.038	3	108.7113	10.675	8	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	111.7830	0.000	1	108.7113	10.675	8	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6]C[5]O)(C[6]C[6]HO)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){2|C<4>,2|O<2>,3|H<1>}	113.4360	0.000	1	113.4360	0.000	1	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)(CH3){2|C<3>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	105.8430	0.000	1	105.8430	0.000	1	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[6,6a]C[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){3|C<3>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	113.1120	0.000	1	113.1120	0.000	1	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>,4|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O){1|C<3>,1|H<1>,3|C<4>}	110.3320	0.000	1	107.3285	18.042	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O)	C[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6]CH)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O){1|H<1>,2|C<3>,2|C<4>}	104.3250	0.000	1	107.3285	18.042	2	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(O)	C[5,6](C[5,6]C[6]O[5]O)(C[6]C[6]HH)(C[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]HH)(O){1|O<2>,2|C<4>,2|H<1>}	112.9330	0.000	1	112.9330	0.000	1	106.0652	8.159	171	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5,6]-4:N[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]H)(N[6]C[6]CC)(C[5]C[5]O)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]N[6])(H)3	C[5](C[5,6]C[5,6]N[6]C)(C[5]C[5]HH)(O){2|H<1>,5|C<4>}	105.3780	0.000	1	105.3780	0.000	1	105.3780	0.000	1	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){3|C<4>,9|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	102.2002	0.825	4	102.2002	0.681	4	102.2632	0.437	6	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5]O)(O)	C[5,6](C[6,6]C[6,6]C[6]C)(C[5,6]C[5]C[6]H)(C[5]C[5]O)(CH3){2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5]C[6a]C[5]O)(O){2|C<3>,3|H<1>,4|C<4>}	102.3890	0.307	2	102.3890	0.094	2	102.2632	0.437	6	106.0762	8.481	192	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-2:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){3|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC){2|C<4>,5|H<1>}	106.0750	0.000	1	106.0750	0.000	1	106.0750	0.000	1	111.5894	11.739	13	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:N-2:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(NN)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(NN){3|C<4>,4|H<1>}	113.8363	0.408	8	113.8363	0.167	8	112.4462	8.710	11	111.5894	11.739	13	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:2:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:N-2:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NO)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NO){2|C<4>,5|H<1>}	108.7393	3.824	3	108.7393	14.626	3	112.4462	8.710	11	111.5894	11.739	13	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:2:	C[6,6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5,6]-4:N-2:	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3)	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(NO)	C[5,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[6]C)(C[5]C[5,6]N)(CH3){1|O<2>,5|C<4>,6|H<1>}	C(C[5,6]C[5,6]C[6,6]C[5])(H)3	C[5](C[5,6]C[5,6]C[6,6]C)(C[5,6]C[5,6]O[6]H)(NO){2|H<1>,6|C<4>}	107.6790	0.000	1	107.6790	0.000	1	107.6790	0.000	1	111.5894	11.739	13	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(CHH)	C[5,6](C[5,6]C[5,5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5,6]HH)(CHH){1|C<3>,2|C<4>,4|H<1>}	114.8890	0.341	3	114.8890	0.116	3	109.5747	17.236	14	109.2913	17.210	15	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH)	C[5,6](C[5,6]C[5,6]CH)(C[6]C[6]HH)(C[5]C[5]C)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH){2|C<3>,2|C<4>,3|H<1>}	114.7270	0.735	2	114.7270	0.541	2	109.5747	17.236	14	109.2913	17.210	15	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH){2|C<4>,5|H<1>}	106.2962	1.137	5	106.2962	1.292	5	109.5747	17.236	14	109.2913	17.210	15	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]H)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]H){2|C<4>,5|H<1>}	106.1650	0.000	1	106.1650	0.000	1	109.5747	17.236	14	109.2913	17.210	15	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]C)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CHH){2|C<4>,5|H<1>}	108.2750	0.000	1	108.2750	0.000	1	109.5747	17.236	14	109.2913	17.210	15	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HO)(C[5]C[5]C)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH)	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>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCH){1|O<2>,2|C<4>,4|H<1>}	107.0020	0.116	2	107.0020	0.013	2	109.5747	17.236	14	109.2913	17.210	15	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:N-3:	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3)	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NCuC)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]N)(CH3){2|C<4>,7|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(NCuC){2|C<4>,5|H<1>}	105.3230	0.000	1	105.3230	0.000	1	105.3230	0.000	1	109.2913	17.210	15	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:2:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO)	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CHHO){1|C<3>,1|O<1>,5|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(OH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<3>,4|H<1>}	111.2130	0.000	1	111.2130	0.000	1	111.2130	0.000	1	111.2130	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:3:1:1:	4:2:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-3:H-1:H-1:	C[5,6]-4:O[5]-2:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]O[5]O)(CCHH){2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CC[6a]O)(H)2	C[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6,6])(O){3|C<4>,4|H<1>}	113.4665	0.952	2	113.4665	0.907	2	113.4665	0.907	2	113.4665	0.907	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]N[5]O)(CCHO){1|O<2>,3|C<4>,4|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){1|C<3>,3|C<4>,3|H<1>}	111.3310	0.000	1	111.3310	0.000	1	110.3395	1.966	2	110.3395	1.966	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:3:2:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-3:O-2:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]N[5]O)(CCHO){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCH)(OC)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]H)(O){2|C<3>,2|C<4>,3|H<1>}	109.3480	0.000	1	109.3480	0.000	1	110.3395	1.966	2	110.3395	1.966	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:3:3:1:	4:2:4:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:C-3:H-1:	C[5,6]-4:N[5]-2:C-4:	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH)	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]O[5])(CH3)	C[5,6](C[5,6]C[6]O[5]O)(C[6]S[6]HH)(C[5]N[5]C)(CC[6a]CH){1|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6]C[5,6]C[6]C)(N[5]O[5])(CH3){1|C<4>,1|O<2>,1|S<2>,2|H<1>}	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	110.3380	0.000	1	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3x5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:O-1:	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]CH)(C[5]C[5]O)(CCHH)	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]Si)(O)	C[5,6](C[3x5,6]C[5,5]2C[5,6])(C[6]C[6]CH)(C[5]C[5]O)(CCHH){1|Si<4>,1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C(C[5,6]C[3x5,6]C[5]C[6])(CCHH)(H)2	C[5](C[5,6]C[3x5,6]C[6]C)(C[5]C[5,5]Si)(O){1|C<3>,1|H<1>,4|C<4>}	108.1590	0.000	1	108.1590	0.000	1	108.1590	0.000	1	108.5337	0.231	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-3:H-1:	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(C[5]C[5]H)(CCHH){2|C<4>,3|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CC[5]HO)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(H){1|O<2>,3|C<4>,3|H<1>}	108.9490	0.021	2	108.9490	0.000	2	108.9490	0.000	2	108.5337	0.231	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[6]-4:C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:N[5]-3:O-1:	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O)	C[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]O)(C[5]N[5]O)(CCHH){1|O<1>,5|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(CH3)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[6a]C[5])(O){1|H<1>,1|O<1>,2|O<2>,4|C<3>}	108.0780	0.000	1	108.0780	0.000	1	108.0780	0.000	1	108.5337	0.231	4	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH)	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O)	C[5,6](C[5,6]C[5,6,6]HH)(C[6]C[6]HH)(C[5]C[5]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]HH)(O){1|C<4>,2|C<3>,4|H<1>}	112.2660	0.000	1	112.2660	0.000	1	112.2660	0.000	1	113.5305	3.198	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5,6]	C	C[5]	4:4:3:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[6]-4:C[5]-3:C-4:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)(CC[5]HH){1|C<3>,8|H<1>}	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]N[5]H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(O){1|O<2>,2|C<4>,4|H<1>}	114.7950	0.000	1	114.7950	0.000	1	114.7950	0.000	1	113.5305	3.198	2	108.0757	14.598	459	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:2:4:1:	4:1:1:1:	3:4:4:	C[5,5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5,5]-4:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H)	C(C[5]C[5,5]O[5]H)(H)3	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[5,5]O[5]H)(H)3	C[5,5](C[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]O[5]CH){1|O<1>,2|C<3>,4|H<1>}	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	112.3850	0.000	1	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:2:4:1:	4:4:4:4:	4:4:3:	C[5,5]-3:N[5]-2:C-4:Cl-1:	C[5]-4:C-4:C-4:C-4:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl)	C(C[5]C[5,5]N[5]Cl)(CH3)3	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6])(CC3)(Cl){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>}	C(C[5]C[5,5]N[5]Cl)(CH3)3	C[5,5](C[5,5,6]C[5,6]C[6]N[5])(C[5]N[5]ClC)(C[5]C[5]Cl){2|H<1>,3|C<4>}	120.4570	0.000	1	120.4570	0.000	1	120.4570	0.000	1	120.4570	0.000	1	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){1|C<4>,4|C<3>}	113.3210	2.718	2	113.6040	2.868	4	113.6040	2.868	4	113.6040	2.868	4	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5,5]O[5]C)(H)3	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC)	C[5](C[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{4|C<3>}	C(C[5]C[5,5]O[5]C)(H)3	C[5,5](C[5,5]C[5,6a]C[5])(C[5]C[5,6a]C[6a])(C[5]O[5]CC){5|C<3>}	113.8870	0.946	2	113.6040	2.868	4	113.6040	2.868	4	113.6040	2.868	4	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:3:4:1:	4:4:4:4:	4:4:2:	C[5,5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[3x5]-4:C[5]-4:N[5]-2:	C[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H)	C(C[5]C[5,5]N[5]H)(CH3)3	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(N[5]C[5])	C[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5,5]N[5]H)(CH3)3	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(N[5]C[5]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	115.0100	0.000	1	115.0100	0.000	1	115.0100	0.000	1	115.0100	0.000	1	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:N[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC)	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2{1|P<3>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5,5](C[5,5]C[5]N[5])(N[5]C[6a]P[5])(C[5]C[5]CC){1|C<4>,1|O<1>,1|O<2>,3|C<3>}	113.7395	0.514	2	113.7395	0.264	2	113.7395	0.264	2	113.3602	3.628	6	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5])(C[5]C[5]CC){1|O<1>,2|H<1>,4|C<3>}	113.1705	2.411	4	113.1705	5.815	4	113.1705	5.815	4	113.3602	3.628	6	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:3:4:4:	4:1:1:1:	3:4:2:	C[5,5]-3:C[5,5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:N[5]-2:	C[5](C[5,5]C[5,5]N[5])2(CH3)2	C(C[5]C[5,5]2C)(H)3	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5])	C[5](C[5,5]C[5,5]N[5])2(CH3)2{4|C<3>}	C(C[5]C[5,5]2C)(H)3	C[5,5](C[5,5]C[5,5]C[5])(C[5]C[5,5]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>}	111.9920	1.131	4	111.9920	1.278	4	111.9920	1.278	4	111.9920	1.278	4	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5,6a]-3:C[5,5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5,5]-3:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,5](P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]2)(C[5]C[5,6a]CC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]P[5])(CH3)2{1|H<1>,1|O<1>,5|C<3>}	C(C[5]C[5,6a]C[5,5]C)(H)3	C[5,5](P[5]C[5,6a]C[6a]O)(C[5,5]C[5,6a]2)(C[5]C[5,6a]CC){6|C<3>}	112.3045	1.228	2	112.3045	1.509	2	112.3045	1.509	2	112.3045	1.509	2	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]H){1|N<3>,4|H<1>}	113.9665	0.547	2	113.9665	0.299	2	113.9665	0.299	2	112.6903	5.035	3	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:N[5]-3:	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C){6|H<1>}	110.1380	0.000	1	110.1380	0.000	1	110.1380	0.000	1	112.6903	5.035	3	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:4:4:1:	4:4:1:1:	4:3:4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(H){2|H<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(CHHO)(H)2	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]C[6a])(C[5]C[5]CH){1|C<4>,2|H<1>,5|C<3>}	110.9917	1.537	4	110.9917	2.363	4	110.9917	2.363	4	111.9038	5.931	5	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:4:4:1:	4:4:1:1:	4:3:4:	C[5,5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5,5]-3:C[5]-4:	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH)	C[5](C[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(CCHH)(H){2|C<3>,4|C<4>}	C(C[5]C[5,5]C[5]H)(CC[5]HH)(H)2	C[5,5](C[5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6]C[5])(C[5]C[5]CH){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	115.5520	0.000	1	115.5520	0.000	1	115.5520	0.000	1	111.9038	5.931	5	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<4>,1|N<3>,4|H<1>}	110.9190	1.025	2	111.2510	1.654	4	111.2510	1.654	4	111.2510	1.654	4	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5,5](C[5,5]C[5]2)(C[5]C[5]CC)(C[5]C[5]H){1|B<3>,1|N<3>,3|H<1>}	111.5830	1.863	2	111.2510	1.654	4	111.2510	1.654	4	111.2510	1.654	4	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,5]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,5]-3:C[5,6]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2	C(C[5]C[5,5]C[5,6]C)(H)3	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H)	C[5](C[5,5]C[5,5,6]C[5])(C[5,6]C[5,6]2H)(CH3)2{1|C<3>,2|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5,6]C)(H)3	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]CC)(C[5]C[5]H){1|O<1>,3|C<4>,6|H<1>}	110.7165	5.168	2	110.7165	26.711	2	110.7165	26.711	2	110.7165	26.711	2	112.6980	5.963	33	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:2:4:1:	4:1:1:1:	3:4:3:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H)	C(C[5]C[5,6]O[5]H)(H)3	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(O[5]B[5,5])(CH3)(H){1|H<1>,2|C<3>,2|O<2>}	C(C[5]C[5,6]O[5]H)(H)3	C[5,6](N[5,6]B[5,5]C[6])(C[5]O[5]CH)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>}	113.9532	0.329	4	113.9532	0.108	4	113.9532	0.108	4	113.9532	0.108	4	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:2:4:1:	4:3:1:1:	4:4:3:	C[5,6]-3:O[5]-2:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H)	C(C[5]C[5,6]O[5]H)(NOO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CHHN)(H){2|C<4>,4|H<1>}	C(C[5]C[5,6]O[5]H)(NOO)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CH)(C[6]C[6]H){1|C<4>,1|O<2>,5|H<1>}	114.0030	0.000	1	114.0030	0.000	1	114.0030	0.000	1	114.0030	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:2:4:2:	4:1:1:1:	3:4:3:	C[5,6]-3:O[5]-2:C-4:O-2:	C[5]-4:F-1:F-1:F-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH)	C(C[5]C[5,6]O[5]O)(F)3	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(O[5]N[5])(CF3)(OH){1|H<1>,2|C<3>}	C(C[5]C[5,6]O[5]O)(F)3	C[5,6](C[5,6]C[6]N[5])(C[5]O[5]CO)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>}	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	112.4180	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC)	C[5](C[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{2|C<3>,2|O<1>}	C(C[5]C[5,6]O[5]C)(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6,6a]O)(C[5]O[5]CC){1|O<1>,3|C<3>}	113.4420	0.300	2	113.4420	0.090	2	113.4420	0.090	2	113.4420	0.090	2	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:2:4:4:	4:1:1:1:	3:4:2:	C[5,6]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:N[6]-2:	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2	C(C[5]C[5,6]O[5]C)(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]O[5]CC)(N[6]S[6])	C[5](C[5,6]C[5,6]N[6])(O[5]C[5])(CH3)2{1|C<3>,1|O<1>,1|S<4>}	C(C[5]C[5,6]O[5]C)(H)3	C[5,6](C[5,6]C[6,6a]C[5])(C[5]O[5]CC)(N[6]S[6]){2|O<1>,3|C<3>}	112.0690	0.826	2	112.0690	0.682	2	112.0690	0.682	2	112.0690	0.682	2	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5,6]-3:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3)	C(C[5]C[5,6]C[6a]C[5])(F)3	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[6a]C[5])(F)3	C[5,6](C[5]C[6a]C[5]C)(C[5,6]C[6]O[5])(C[6]C[6]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	110.2470	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:3:4:	4:2:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6a]-3:C-4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:C[5,6]-3:O[6]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH)	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6])	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6])(C[6a]C[6a]2)(CCHH){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C[6a])(CC)(H)2	C[5,6](C[5]C[5,6a]C[6a]C)(C[5,6]C[5,6a]C[6])(O[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	108.3540	0.034	2	108.3540	0.001	2	108.3540	0.001	2	108.3540	0.001	2	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:1:	4:1:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|C<3>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]C)(C[5]C[5]CH){1|Ru<8>,5|C<4>}	112.3090	0.000	1	112.3090	0.000	1	112.3090	0.000	1	112.3090	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5,6]C)(C[5]C[5]CH){1|C<3>,3|C<4>,3|H<1>}	112.9882	0.250	4	112.9882	0.063	4	112.9882	0.063	4	112.9882	0.063	4	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:1:	4:3:1:1:	3:3:4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H)	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H){1|O<1>,4|C<3>}	C(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|H<1>,1|O<1>,4|C<3>}	116.9890	0.000	1	116.9890	0.000	1	116.9890	0.000	1	116.9890	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H)	C(C[5]C[5,6a]C[5,6]H)(CCO)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5,6]H)(CCO)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CH)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.0390	0.000	1	110.0390	0.000	1	110.0390	0.000	1	110.0390	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:1:	4:3:4:1:	3:4:3:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6]-3:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)(H)	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]Cd)(CC[6]CH)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6]N[5]H)(C[6]C[6]N[6])(CC[5]C[6]H)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]CH)(C[6]C[6]H){1|Cd<5>,2|C<3>,2|H<1>}	127.1280	0.000	1	127.1280	0.000	1	127.1280	0.000	1	127.1280	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H)	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H){1|O<1>,4|C<3>}	C(C[5]C[5,6]N[5]H)(CCCH)(H)2	C[5,6](C[5,6]C[5,5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|H<1>,1|O<1>,4|C<3>}	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	115.2250	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5,6]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H)	C(C[5]C[5,6]2H)(CHHP)(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH)(H){2|C<3>,2|H<1>,2|N<3>}	C(C[5]C[5,6]2H)(CHHP)(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CH)(C[6]C[6]H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	115.6065	1.173	2	115.6065	1.376	2	115.6065	1.376	2	115.6065	1.376	2	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:1:	4:4:4:4:	3:3:4:	C[5,6]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H)	C(C[5]C[5,6]N[5]H)(CH3)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H){1|C<4>,1|O<1>,3|C<3>}	C(C[5]C[5,6]N[5]H)(CH3)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:2:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH)	C(C[5]C[5,6]C[5]O)(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Fe)(CH3)(OH){1|H<1>,3|C<3>}	C(C[5]C[5,6]C[5]O)(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CO)(C[6]C[6]H){1|Fe<6>,2|C<3>,2|H<1>}	110.1060	0.000	1	110.1060	0.000	1	108.9225	2.801	2	108.9225	2.801	2	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:2:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH)	C(C[5]C[5,6]C[5]O)(H)3	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]Ru)(CH3)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]O)(H)3	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CO)(C[6]C[6]H){1|Ru<6>,2|C<3>,2|H<1>}	107.7390	0.000	1	107.7390	0.000	1	108.9225	2.801	2	108.9225	2.801	2	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:3:	4:1:1:1:	3:3:4:	C[5,6]-3:N[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CH3)(COO)	C(C[5]C[5,6]N[5]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6]N[5]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.9610	0.000	1	111.9610	0.000	1	111.9610	0.000	1	111.9610	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:3:	4:1:1:1:	3:4:4:	C[5,6a]-3:C[5,6]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO)	C(C[5]C[5,6a]C[5,6]N)(H)3	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)(NOO){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]N)(H)3	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CN)(C[6]N[6]HH){1|C<4>,1|S<4>,2|C<3>,2|N<3>}	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	112.9440	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:3:	4:3:1:1:	3:3:4:	C[5,6]-3:N[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC[6a]HH)(COO)	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6]N[5]C)(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[5]N[5]CC){1|O<1>,2|H<1>,3|C<3>}	111.6890	0.000	1	111.6890	0.000	1	111.6890	0.000	1	111.6890	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC)	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){1|B<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	110.2720	0.000	1	110.2720	0.000	1	110.2720	0.000	1	112.1884	2.153	5	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[3,6]H)(C[5]C[5]CC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	112.8430	1.481	2	112.8430	2.192	2	112.6675	1.341	4	112.1884	2.153	5	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|O<1>,3|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CC){2|O<1>,3|C<3>}	112.4920	1.307	2	112.4920	1.708	2	112.6675	1.341	4	112.1884	2.153	5	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){1|H<1>,2|C<3>,2|O<1>}	111.9950	1.529	2	112.2007	0.935	4	112.2007	0.935	4	111.3472	2.313	9	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6]N[5])(C[5]C[5]CC)(C[6]C[6]H){2|O<1>,3|C<3>}	112.4065	0.547	2	112.2007	0.935	4	112.2007	0.935	4	111.3472	2.313	9	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CH3)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6](C[5,6]C[5,6a]N[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	111.2685	0.534	2	111.2685	0.285	2	111.2685	0.285	2	111.3472	2.313	9	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<2>,3|C<3>}	110.6640	0.000	1	110.2617	4.475	3	110.2617	4.475	3	111.3472	2.313	9	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6])(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|C<2>,1|N<3>,3|C<3>}	110.0605	2.951	2	110.2617	4.475	3	110.2617	4.475	3	111.3472	2.313	9	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:1:1:1:	3:4:4:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]C)(H)3	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5,6]-3:C[5,6a]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC)	C[5](C[5,6]C[6,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(CCHH)(CH3){1|B<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,6]C)(CCH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]B[6])(C[5]C[5,6a]CC){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	113.1160	0.000	1	113.1160	0.000	1	113.1160	0.000	1	113.1160	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:3:1:1:	3:4:4:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[6a]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5,6]C)(C[6a]C[6a]2)(H)2	C[5,6](C[5,6]C[5,6a]O[6])(C[5]C[5,6a]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	113.1320	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:3:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2	C(C[5]C[5,6]C[5]C)(CCC)(H)2	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]C)(CCC)(H)2	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	105.0130	0.000	1	105.0130	0.000	1	105.0130	0.000	1	105.0130	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5,6]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])2(CCHH)2	C(C[5]C[5,6]2C)(CH3)(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])2(CCHH)2{2|C<3>,2|H<1>,2|N<3>}	C(C[5]C[5,6]2C)(CH3)(H)2	C[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]CC)(C[6]C[6]H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	110.9158	1.599	4	110.9158	2.558	4	110.9158	2.558	4	111.7247	3.528	6	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(CC[5]HH)2{1|C<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5,6]C)(C[5]C[5,6a]2C)(H)2	C[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)(C[6]C[6]H){1|H<1>,3|C<3>}	113.3425	1.453	2	113.3425	2.112	2	113.3425	2.112	2	111.7247	3.528	6	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	C[5,6](C[5,6,6]C[6,6]O[5]O[6])(C[5]C[5]CC)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]N){1|C<3>,7|H<1>}	110.9890	0.000	1	110.9890	0.000	1	113.7414	2.823	5	113.8187	2.294	6	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	114.7710	0.000	1	114.1267	0.360	3	113.7414	2.823	5	113.8187	2.294	6	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|O<1>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CH)(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	113.8045	0.312	2	114.1267	0.360	3	113.7414	2.823	5	113.8187	2.294	6	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[6]O[5])(C[5]C[5]CH)(C[6]C[6]H){2|C<3>,4|H<1>}	115.3380	0.000	1	115.3380	0.000	1	113.7414	2.823	5	113.8187	2.294	6	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]N[5,6]C[6])(C[5]C[6a]C[5]H)(CH3)(H){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	114.2050	0.000	1	114.2050	0.000	1	114.2050	0.000	1	113.8187	2.294	6	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:1:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5]N[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,1|S<4>,4|H<1>}	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5,6]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H)	C(C[5]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5,6]C[5,6]2H)(CH3)(H){1|C<3>,3|H<1>,5|C<4>}	C(C[5]C[5,6]2H)(H)3	C[5,6](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	115.2663	1.138	3	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)(H){2|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]2){1|N<3>,2|C<4>,9|H<1>}	115.1580	0.000	1	115.1580	0.000	1	115.7705	0.750	2	115.2663	1.138	3	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)(H){1|C<3>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5,6](C[5,6]C[5,6]O[5]O)(C[5]C[5]CH)(C[6]C[6]C){1|H<1>,1|O<1>,2|C<4>,2|O<2>}	116.3830	0.000	1	116.3830	0.000	1	115.7705	0.750	2	115.2663	1.138	3	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:3:2:1:	3:2:4:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	N[5,6]-3:N[6]-2:C[5]-4:	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]CH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]CH){2|C<3>,6|H<1>}	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:1:	4:4:4:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CH)(C[6]C[6]H){2|C<4>,7|H<1>}	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	116.0520	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:3:	4:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CCHH)(COO)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CCHH)(COO){1|C<3>,1|O<1>,2|C<4>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	112.7730	0.000	1	112.7730	0.000	1	112.7730	0.000	1	112.7730	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:2:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,6,6]-3:N[6]-2:C[5]-4:	C[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]CC)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](N[5,6,6]B[3x6]C[5,6])(N[6]C[5a,6])(C[5]C[5]CC)	C[5](C[5,6]N[5,6,6]N[6])(C[5]C[5,6]CC)(CH3)2{1|B<4>,1|C<3>,1|N<2>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](N[5,6,6]B[3x6]C[5,6])(N[6]C[5a,6])(C[5]C[5]CC){1|Cl<1>,1|C<3>,1|N<2>,2|C<4>,2|N<3>}	109.3492	3.806	4	109.3492	14.485	4	109.3492	14.485	4	109.3492	14.485	4	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	111.4741	1.046	8	111.4324	0.801	12	111.4324	0.801	12	111.2564	1.307	14	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|S<1>,2|H<1>,3|C<4>}	111.3490	0.608	4	111.4324	0.801	12	111.4324	0.801	12	111.2564	1.307	14	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]CC)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]CC){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	110.2005	2.362	2	110.2005	5.581	2	110.2005	5.581	2	111.2564	1.307	14	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CH3)2{1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,1|O<1>,5|H<1>}	110.2795	0.904	2	110.2795	0.818	2	111.1778	3.584	6	111.1778	3.584	6	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CH)(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6,6a]O[5])(C[5]C[5]CC)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	111.6270	2.212	4	111.6270	4.893	4	111.1778	3.584	6	111.1778	3.584	6	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3)	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3){2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH){2|C<4>,7|H<1>}	108.8205	0.613	2	108.8205	0.376	2	108.8205	0.376	2	108.8205	0.376	2	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3)	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	110.1010	0.000	1	110.1010	0.000	1	108.5940	4.542	2	108.5940	4.542	2	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:1:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3)	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	107.0870	0.000	1	107.0870	0.000	1	108.5940	4.542	2	108.5940	4.542	2	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:2:1:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3)	C(C[5]C[5,6]C[5]C)(OC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(CH3){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]C)(OC)(H)2	C[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CC)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){1|Cu<2>,1|Cu<3>,1|C<3>,2|H<1>,3|C<4>}	110.6582	1.532	4	111.4689	2.294	8	111.5597	3.642	16	111.9144	6.097	20	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]H)(C[5]C[5]CC){2|Cu<2>,1|C<3>,2|H<1>,3|C<4>}	112.2795	1.119	4	111.4689	2.294	8	111.5597	3.642	16	111.9144	6.097	20	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]O)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	110.4935	2.968	4	110.4935	8.807	4	111.5597	3.642	16	111.9144	6.097	20	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|S<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]S)(C[5]C[5]CC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	112.8077	0.660	4	112.8077	0.436	4	111.5597	3.642	16	111.9144	6.097	20	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[6]-3:N[5,6]-3:C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<3>,3|C<4>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[6]C[3x6]P[3x6])(N[5,6]C[3x6]C[5])(C[5]C[5]CC){1|C<3>,2|H<1>,7|C<4>}	113.3390	4.909	2	113.3390	24.096	2	113.3390	24.096	2	111.9144	6.097	20	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](N[5,6]C[3x6]C[5])(C[6]P[3x6]C)(C[5]C[5]CC)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<3>,3|C<4>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](N[5,6]C[3x6]C[5])(C[6]P[3x6]C)(C[5]C[5]CC){1|C<3>,2|H<1>,4|C<4>}	113.3270	5.201	2	113.3270	27.055	2	113.3270	27.055	2	111.9144	6.097	20	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{1|Cu<2>,1|Cu<3>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	111.4925	0.973	4	111.4791	1.419	8	111.4791	1.419	8	111.4791	1.419	8	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:4:1:1:	3:4:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[6]-4:C[5]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHH)2{2|Cu<2>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5,6](C[5,6]C[5]C[6])(C[6]C[5,6]Cu2)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	111.4657	1.538	4	111.4791	1.419	8	111.4791	1.419	8	111.4791	1.419	8	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:4:2:1:	4:4:3:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3)	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHO)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(CH3)(OH)(H)	C[5,6](C[5,6]C[6,6]C[5]C)(C[5]C[5]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	111.8660	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	3:4:4:4:	4:4:4:1:	3:4:4:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:C[6]-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3)	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(CH3){2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]C)(CCHH)(CH3)(H)	C[5,6](C[5,6]C[6,6]C[5])(C[5]C[5]CC)(C[6]C[6]HH){2|C<4>,7|H<1>}	111.8655	2.784	2	111.8655	7.750	2	111.8655	7.750	2	111.8655	7.750	2	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	4:3:4:1:	4:2:1:1:	3:4:3:	C[5,5]-4:C[5,6]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-3:C[5]-4:C[6]-3:	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H)	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O)	C[5](C[5,5]C[3,5]N[5,5]O)(C[5,6]C[5,6]C[6])(CHHO)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5,6]H)(OC)(H)2	C[5,6](C[5,6]N[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	4:3:4:2:	4:1:1:1:	4:4:2:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-2:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	C(C[5]C[3,5]C[5,6]O)(H)3	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6])	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[3,5]C[5,6]O)(H)3	C[5,6](C[5,6]C[3,5]C[6,6]C)(C[5]C[3,5]CO)(C[6]C[6]){1|O<1>,3|C<4>,3|H<1>}	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	111.9870	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5,6]	4:3:4:2:	4:1:1:1:	4:4:3:	C[3,5]-4:C[5,6]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH)	C(C[5]C[3,5]C[5,6]O)(H)3	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H)	C[5](C[3,5]C[3,5]C[3]H)(C[5,6]C[5,6]C[6])(CH3)(OH){3|C<4>,4|H<1>}	C(C[5]C[3,5]C[5,6]O)(H)3	C[5,6](C[5,6]C[3,5]C[6]C)(C[5]C[3,5]CO)(C[6]C[6]H){1|O<2>,2|C<4>,5|H<1>}	113.1670	0.000	1	113.1670	0.000	1	113.1670	0.000	1	113.1670	0.000	1	112.1264	7.485	131	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:1:1:1:	2:4:2:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	O[5]-2:C[5]-4:O-2:	C[5](O[5]In[5,5,6,6])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	C[5](O[5]In[5,5,6,6])(C[5]O[5]CH)(OC)	C[5](O[5]In[5,5,6,6])(C[5]O[5]O)(CH3)(H){2|N<3>,2|O<2>}	C(C[5]C[5]O[5]H)(H)3	C[5](O[5]In[5,5,6,6])(C[5]O[5]CH)(OC){2|N<3>,2|O<2>}	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	110.2320	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:1:1:1:	3:4:1:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(O)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)(H){1|O<2>,2|C<4>}	C(C[5]C[5]O[5]H)(H)3	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(O){1|C<4>,1|O<2>}	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	116.0250	7.880	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:1:1:1:	3:4:1:	S[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	C[5](N[5]C[5,6]N)(C[5]S[5]CH)(O)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(H){1|N<3>,2|C<4>}	C(C[5]C[5]S[5]H)(H)3	C[5](N[5]C[5,6]N)(C[5]S[5]CH)(O){2|C<4>}	118.0100	0.000	1	118.0100	0.000	1	118.0100	0.000	1	116.0250	7.880	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:1:1:1:	4:2:1:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]B[5,5])(O)	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)(H){2|O<2>}	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]B[5,5])(O){2|O<2>}	113.4480	1.883	3	113.4480	3.547	3	113.4480	3.547	3	113.4480	3.547	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:2:4:1:	4:4:1:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:S-2:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H)	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(O)	C[5](O[5]C[5,5])(C[5]C[5]O)(CCHS)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(SC[6a])(CCHH)(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CH)(O){2|C<4>}	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	112.4750	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:3:1:1:	4:2:1:	N[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]P[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	C[5](N[5]P[5,5])(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|Cl<1>,1|N<3>,1|O<2>}	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	111.8512	2.007	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:3:1:1:	4:2:1:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]O[5]CH)(O[5]B[5,5])(O)	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)(H){2|O<2>}	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]O[5]CH)(O[5]B[5,5])(O){2|O<2>}	112.9215	0.364	2	112.9215	0.133	2	113.0250	0.098	3	111.8512	2.007	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:3:1:1:	4:2:1:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]O[5]CH)(O[5]C[5,6])(O)	C[5](O[5]C[5,6])(C[5]O[5]O)(CCHH)(H){2|C<4>}	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]O[5]CH)(O[5]C[5,6])(O){2|C<4>}	113.2320	0.000	1	113.2320	0.000	1	113.0250	0.098	3	111.8512	2.007	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:3:1:1:	4:2:1:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CH)(O[5]B[5,5])(O)	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[6a]HH)(H){2|O<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CH)(O[5]B[5,5])(O){2|O<2>}	111.1715	0.322	2	111.1715	0.104	2	111.1715	0.104	2	111.8512	2.007	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:3:2:1:	3:4:1:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C[5]-4:H-1:	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]CH)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CC[6a]HO)(H){1|C<4>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5,5]H)(C[5]O[5]CH)(H){1|C<4>,1|N<3>}	112.0625	0.066	2	112.0625	0.004	2	112.8689	0.408	7	112.8689	0.408	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:3:2:1:	3:4:1:	O[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-3:C[5]-4:H-1:	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]CH)(H)	C[5](O[5]C[5,6])(C[5]C[5]H)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5,6]H)(C[5]O[5]CH)(H){1|C<3>,1|N<3>}	113.1914	0.395	5	113.1914	0.156	5	112.8689	0.408	7	112.8689	0.408	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:1:	4:4:4:1:	4:2:1:	N[5]-2:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]P[5,5])(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	C[5](N[5]P[5,5])(C[5]O[5]O)(CCCH)(H){1|Cl<1>,1|N<2>,1|O<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|Cl<1>,1|N<2>,1|O<2>}	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	113.0180	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:2:	4:1:1:1:	3:4:1:	S[5]-2:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH)	C(C[5]C[5]S[5]O)(H)3	C[5](N[5]C[5,6]C)(C[5]S[5]CO)(O)	C[5](S[5]C[5,6])(C[5]N[5]O)(CH3)(OH){3|C<4>}	C(C[5]C[5]S[5]O)(H)3	C[5](N[5]C[5,6]C)(C[5]S[5]CO)(O){2|C<4>}	109.0960	0.267	2	109.0960	0.071	2	109.0960	0.071	2	109.0960	0.071	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:2:	4:2:1:1:	3:4:1:	O[5]-2:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5,5]H)(C[5]O[5]CO)(H)	C[5](O[5]C[5,5])(C[5]C[5]H)(CHHO)(OH){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]C[5,5]H)(C[5]O[5]CO)(H){1|C<4>,1|O<2>}	114.6750	0.000	1	114.6750	0.000	1	114.6750	0.000	1	114.6750	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:3:	4:1:1:1:	3:4:3:	S[5]-2:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC)	C(C[5]C[5]S[5]C)(H)3	C[5](N[5]C[5,5]C)(C[5]S[5]CC)(CHH)	C[5](S[5]C[5,5])(C[5]N[5]C)(CH3)(CCC){1|C<3>,2|C<4>}	C(C[5]C[5]S[5]C)(H)3	C[5](N[5]C[5,5]C)(C[5]S[5]CC)(CHH){1|C<3>,1|C<4>}	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:3:	4:3:2:1:	4:4:1:	O[5]-2:C[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O)	C[5](O[5]C[5,5])(C[5]C[5]O)(CC[6a]HO)(COO){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(OC[6])(H)	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O){2|C<4>}	112.1400	0.000	1	112.1400	0.000	1	112.1400	0.000	1	112.1400	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	3:4:1:1:	4:2:1:	O[5]-2:C[5]-3:C-4:P-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3)	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	C[5](C[5]O[5]CP)(O[5]B[5,5])(O)	C[5](O[5]B[5,5])(C[5]O[5]O)(CC[5]HH)(PO3){2|O<2>}	C(C[5]N[5,6a]C[5])(C[5]C[5]O[5]P)(H)2	C[5](C[5]O[5]CP)(O[5]B[5,5])(O){2|O<2>}	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	4:1:1:1:	3:4:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	P[5]-3:C[5]-4:H-1:	C[5](O[5]Ge[5,6])(C[5]P[5]H)(CF3)2	C(C[5]C[5]O[5]C)(F)3	C[5](P[5]Ge[5,6]C)(C[5]O[5]CC)(H)	C[5](O[5]Ge[5,6])(C[5]P[5]H)(CF3)2{1|C<4>,1|N<2>,1|O<2>}	C(C[5]C[5]O[5]C)(F)3	C[5](P[5]Ge[5,6]C)(C[5]O[5]CC)(H){1|N<2>,1|O<2>}	108.6855	0.811	2	108.6855	0.658	2	108.6855	0.658	2	111.2251	1.988	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	4:1:1:1:	3:4:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5,6]H)(C[5]O[5]CC)(H)	C[5](O[5]C[5,5,6])(C[5]C[5]H)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5,6]H)(C[5]O[5]CC)(H){2|C<4>}	112.7190	1.506	2	112.7190	2.268	2	112.7190	2.268	2	111.2251	1.988	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	4:1:1:1:	3:4:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:I-1:	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(I)	C[5](O[5]C[5,6])(C[5]C[5]I)(CH3)2{1|C<3>,1|I<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(I){1|C<3>,1|O<2>}	112.8615	0.670	2	112.8615	0.448	2	112.8615	0.448	2	111.2251	1.988	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	4:1:1:1:	3:4:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){1|C<3>,1|C<4>}	110.9010	0.721	6	111.1070	0.399	10	111.1070	0.399	10	111.2251	1.988	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	4:1:1:1:	3:4:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|C<3>,1|N<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){1|C<3>,1|N<3>}	111.5675	0.465	2	111.1070	0.399	10	111.1070	0.399	10	111.2251	1.988	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	4:1:1:1:	3:4:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O)	C[5](O[5]C[5,5])(C[5]N[5]O)(CH3)2{1|O<2>,2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[5,5]O)(C[5]O[5]CC)(O){2|C<3>}	111.2645	0.216	2	111.1070	0.399	10	111.1070	0.399	10	111.2251	1.988	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	4:1:1:1:	4:2:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(O)	C[5](O[5]B[5,5])(C[5]O[5]O)(CH3)2{2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5,5])(O){2|O<2>}	110.6860	1.246	2	110.6860	1.552	2	110.5465	0.986	6	110.5465	0.986	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	4:1:1:1:	4:2:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](O[5]P[5,5])(C[5]O[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5,5])(O)	C[5](O[5]P[5,5])(C[5]O[5]O)(CH3)2{1|Ni<4>,2|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]P[5,5])(O){1|Ni<4>,2|O<2>}	110.4768	1.052	4	110.4768	1.106	4	110.5465	0.986	6	110.5465	0.986	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	4:1:1:1:	4:4:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O)	C[5](O[5]C[5,5])(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,5]HH)(C[5]O[5]CC)(O){1|C<4>,1|O<2>}	110.3510	0.540	4	110.3510	0.292	4	110.3510	0.292	4	110.3510	0.292	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:3:4:4:	4:3:1:1:	4:2:1:	O[5]-2:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)2	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]O[5]CC)(O[5]B[5,5])(O)	C[5](O[5]B[5,5])(C[5]O[5]O)(CCHH)2{2|O<2>}	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5]O[5]CC)(O[5]B[5,5])(O){2|O<2>}	112.1975	0.808	4	112.1975	0.652	4	112.1975	0.652	4	112.1975	0.652	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:4:3:4:	4:4:1:1:	3:4:3:	O[5]-2:C-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH)	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH)	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5,5]C[5,5]C[5]O[5])(C[5]C[5]O[5]C)(H)2	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH){1|C<4>,1|O<2>}	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	114.5025	18.319	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	2:4:3:4:	4:4:1:1:	3:4:3:	O[5]-2:C-4:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH)	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH)	C[5](O[5]C[5,6])(CC[5,5]HH)(C[5]C[5]C)(CCHH){1|C<4>,1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCH){1|C<4>,1|O<2>}	111.4760	0.000	1	111.4760	0.000	1	111.4760	0.000	1	114.5025	18.319	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:2:4:	4:1:1:1:	4:2:1:	C[5]-3:O[5]-2:S-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3)	C(C[5]C[5]O[5]S)(H)3	C[5](C[5]O[5]CS)(O[5]C[5])(O)	C[5](C[5]O[5]O)(O[5]C[5])(SC[6a])(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]O[5]S)(H)3	C[5](C[5]O[5]CS)(O[5]C[5])(O){1|C<4>,1|H<1>}	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	110.8050	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:2:4:	4:4:4:1:	3:4:3:	C[5]-3:S[5]-2:S[5]-2:C-4:	C[5]-4:C-4:C-4:H-1:	C[5,6,6]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH)	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O)	C[5](C[5]C[5,6,6]C[5])(S[5]C[5])2(CCCH){1|C<4>,1|O<1>,2|O<2>,4|H<1>}	C(C[5]C[5]S[5]2)(CCHH)(CH3)(H)	C[5](C[5,6,6]C[5,3x6]O[6,6])(C[5]S[5]2C)(C[5]O[5]O){5|C<4>}	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	108.7660	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:3:4:	4:1:1:1:	4:3:4:	C[5]-3:O[5]-2:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(SiC3)	C[5](C[5]C[5]Si)(O[5]C[5])(CN[5]O)(CH3){3|H<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(SiC3){2|H<1>}	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1	112.3310	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:1:1:1:	3:4:1:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5a]-3:C[5]-4:O-1:	C[5](C[5]N[5,5a]O)(S[5]C[5,5a])(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O)	C[5](C[5]N[5,5a]O)(S[5]C[5,5a])(CH3)(H){2|C<3>}	C(C[5]C[5]S[5]H)(H)3	C[5](N[5,5a]C[5,5a]C[5a])(C[5]S[5]CH)(O){1|N<2>,2|C<3>}	111.4490	0.000	1	111.4490	0.000	1	111.4490	0.000	1	111.8160	0.269	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:1:1:1:	3:4:1:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)(H){1|C<3>,1|S<1>}	C(C[5]C[5]S[5]H)(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O){1|S<1>,2|C<3>}	112.1830	0.000	1	112.1830	0.000	1	112.1830	0.000	1	111.8160	0.269	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:1:1:1:	4:2:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>}	113.3870	0.000	1	113.3870	0.000	1	110.9685	11.698	2	110.9685	11.698	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:1:1:1:	4:2:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]Ga[5])(O)	C[5](C[5]O[5]O)(O[5]Ga[5])(CH3)(H){2|C<4>}	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(O[5]Ga[5])(O){2|C<4>}	108.5500	0.000	1	108.5500	0.000	1	110.9685	11.698	2	110.9685	11.698	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	114.6730	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:1:1:1:	4:3:2:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(S[5]C[5])(CH3)(H)	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(S[5]C[5])(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]S[5]H)(H)3	C[5](C[5]S[5]CH)(C[5]C[5]C)(OH){1|O<1>}	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	111.9790	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-1:	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C)	C[5](C[5]C[5]C)(C[5]C[5])(CH3)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(C){1|C<4>,1|H<1>}	113.0570	0.000	1	113.0570	0.000	1	113.0570	0.000	1	112.7845	0.149	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:1:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H)	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O){1|O<1>}	112.5120	0.000	1	112.5120	0.000	1	112.5120	0.000	1	112.7845	0.149	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:2:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[6a]C[5])(C[5]O[5]CH)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OC)(H)2	C[5](C[5]N[6a]C[5])(C[5]O[5]CH)(H){2|C<3>,2|H<1>}	112.5750	0.894	2	112.5750	0.799	2	112.5750	0.799	2	112.5750	0.799	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:2:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OC[6])(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(OC[6])(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	115.2230	0.000	1	115.2230	0.000	1	115.8740	0.848	2	115.8740	0.848	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:2:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|H<1>,1|N<3>}	116.5250	0.000	1	116.5250	0.000	1	115.8740	0.848	2	115.8740	0.848	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:2:1:1:	4:4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(CHH)	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]O[5]CH)(CHH){2|C<3>,2|H<1>}	115.1740	0.000	1	115.1740	0.000	1	115.9140	1.981	3	115.9140	1.981	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:2:1:1:	4:4:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H)	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[6a]C[5]H)(C[5]O[5]CH)(CHH)	C[5](C[5]C[5]C)(O[5]C[5])(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]O[5]H)(OH)(H)2	C[5](C[5]N[6a]C[5]H)(C[5]O[5]CH)(CHH){2|C<3>,2|H<1>}	116.2840	1.772	2	116.2840	3.140	2	115.9140	1.981	3	115.9140	1.981	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(H){2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	114.3230	0.000	1	114.3230	0.000	1	114.3230	0.000	1	113.0350	3.318	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:1:1:	3:4:1:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	C(C[5]C[5]S[5]H)(CNO)(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<3>,1|N<2>}	C(C[5]C[5]S[5]H)(CNO)(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O){1|N<2>,2|C<3>}	111.7470	0.000	1	111.7470	0.000	1	111.7470	0.000	1	113.0350	3.318	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCC)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	115.6525	1.754	6	115.6525	3.077	6	115.6525	3.077	6	113.6322	9.371	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(COO)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]2)(O){1|C<3>,1|O<1>,1|O<2>}	111.2265	0.378	2	111.2265	0.143	2	111.2265	0.143	2	113.6322	9.371	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:1:1:	4:3:1:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	C(C[5]C[5]S[5]H)(CNO)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<4>,1|N<2>}	C(C[5]C[5]S[5]H)(CNO)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|N<2>}	108.2410	0.000	1	108.2410	0.000	1	109.9770	6.027	2	113.6322	9.371	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:1:1:	4:3:1:	C[5]-3:S[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H)	C(C[5]C[5]S[5]H)(COO)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(S[5]C[5])(CCHH)(H){1|C<4>,1|S<1>}	C(C[5]C[5]S[5]H)(COO)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|S<1>}	111.7130	0.000	1	111.7130	0.000	1	109.9770	6.027	2	113.6322	9.371	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:1:1:	4:3:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH){1|O<1>}	115.1510	0.000	1	115.1510	0.000	1	115.1510	0.000	1	115.9245	1.197	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:1:1:	4:3:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,1|S<4>}	C(C[5]C[5]O[5]H)(CCH)(H)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHH){1|O<1>}	116.6980	0.000	1	116.6980	0.000	1	116.6980	0.000	1	115.9245	1.197	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(CCO)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CH)(O){2|C<4>}	116.1555	3.047	2	116.1555	9.284	2	116.1555	9.284	2	114.8613	9.666	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]CH)(O)	C[5](C[5]C[3,5]O)(O[5]C[3,5])(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]O[5]CH)(O){1|C<3>,2|H<1>}	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	114.8613	9.666	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCC)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	114.5920	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:3:1:	3:4:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:N-3:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(COO)(NCH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CCHN)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(COO)(NCH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O){1|O<1>,2|C<3>}	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	108.0480	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:3:1:	3:4:2:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H)	C(C[5]C[5]O[5]H)(COO)2(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5,5])	C[5](C[5]C[6a]N[5])(O[5]C[5,5])(CCCH)(H){4|C<3>}	C(C[5]C[5]O[5]H)(COO)2(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5,5]){2|H<1>,4|C<3>}	117.5730	0.000	1	117.5730	0.000	1	117.5730	0.000	1	117.5730	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:3:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]O[5])(CCC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:3:1:	4:4:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CH)(O)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CC[5]CH)(H){1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CCH)(H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]O[5]CH)(O){1|O<2>,2|C<4>,2|H<1>}	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	109.6250	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:4:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]CH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2)(CC[6]HH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	115.7904	0.795	5	115.7904	0.632	5	115.7904	0.632	5	115.7904	0.632	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:3:4:3:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:N-3:C-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H)	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(NC[6a]H)(CH3)(COO)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	113.8310	0.000	1	113.8310	0.000	1	113.8310	0.000	1	113.8310	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[5]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(O){1|O<1>,2|C<3>}	116.1530	0.148	2	116.1530	0.022	2	116.1530	0.022	2	116.1530	0.022	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:1:1:	4:2:1:	C[5]-3:N[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5])(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5])(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|O<1>}	111.4500	0.000	1	111.4500	0.000	1	111.4500	0.000	1	111.4500	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[3]HH)(H){1|C<4>,1|O<1>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	117.5590	0.696	2	117.5590	0.484	2	117.5590	0.484	2	116.6156	2.082	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	117.4440	0.000	1	117.4440	0.000	1	115.8910	4.824	2	116.6156	2.082	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CN[5]HH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	114.3380	0.000	1	114.3380	0.000	1	115.8910	4.824	2	116.6156	2.082	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[5]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	116.1780	0.000	1	116.1780	0.000	1	116.1780	0.000	1	116.6156	2.082	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:1:1:	4:3:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCCH)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH){1|O<1>}	115.1040	0.000	1	115.1040	0.000	1	116.2775	2.754	2	116.2775	2.754	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:1:1:	4:3:4:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(CC[5a]HH){1|O<1>}	117.4510	0.000	1	117.4510	0.000	1	116.2775	2.754	2	116.2775	2.754	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	3:4:2:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-3:C[5]-4:O-2:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(OC){1|O<1>,2|C<3>}	115.1550	0.000	1	115.1550	0.000	1	115.1550	0.000	1	115.1550	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:2:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHH)	C[5](C[5]O[5]C)(O[5]C[5])(CCHO)(H){1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHH){1|O<1>}	115.6100	0.000	1	115.6100	0.000	1	115.6100	0.000	1	115.4700	0.039	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:2:3:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H)	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHH)	C[5](C[5]O[5]C)(O[5]C[5])(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHH){1|O<1>}	115.3300	0.000	1	115.3300	0.000	1	115.3300	0.000	1	115.4700	0.039	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	115.7000	0.000	1	115.7000	0.000	1	115.0475	1.703	6	114.5261	3.658	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[3]CH)(OC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	117.0500	0.000	1	117.0500	0.000	1	115.0475	1.703	6	114.5261	3.658	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[3]CH)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	115.0540	0.202	2	115.0540	0.041	2	115.0475	1.703	6	114.5261	3.658	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]CH)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	113.2250	0.000	1	113.2250	0.000	1	115.0475	1.703	6	114.5261	3.658	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	114.2020	0.000	1	114.2020	0.000	1	115.0475	1.703	6	114.5261	3.658	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]N)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<2>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]N)(O){1|O<1>}	110.2680	0.000	1	112.7490	6.121	3	112.7490	6.121	3	114.5261	3.658	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]N)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|N<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]N)(O){1|O<1>}	113.9895	1.735	2	112.7490	6.121	3	112.7490	6.121	3	114.5261	3.658	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:N-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6])(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	114.5261	3.658	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(Br)	C[5](C[5]C[5]Br)(O[5]C[5])(CC[6]HO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(Br){1|O<1>}	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	114.5261	3.658	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:2:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OC)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OC){1|O<1>}	113.8000	0.000	1	113.8000	0.000	1	114.5291	1.478	15	114.5291	1.478	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:3:2:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(H){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]H)(CHHO)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]O)(OH){1|O<1>}	114.5812	1.244	14	114.5812	1.548	14	114.5291	1.478	15	114.5291	1.478	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:4:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CC[6]HO)(H){1|O<2>,3|C<4>}	C(C[5]C[5]O[5]H)(C[6]C[6]O[6]C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O){1|C<4>,1|O<2>}	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	108.0900	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:2:1:	4:4:2:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,5]-4:C[5]-4:O-2:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H)	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHO)(H){2|H<1>,2|N<3>}	C(C[5]C[5]O[5]H)(CHHO)(OC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]O[5]CH)(OC){1|H<1>,1|N<3>,2|C<3>}	116.0150	0.000	1	116.0150	0.000	1	116.0150	0.000	1	116.0150	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:3:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	117.6120	0.000	1	117.6120	0.000	1	116.5667	0.552	4	116.2606	0.883	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:3:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(NHS)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	116.5810	0.000	1	116.5810	0.000	1	116.5667	0.552	4	116.2606	0.883	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:3:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]FF)(NCH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	116.0670	0.000	1	116.0670	0.000	1	116.5667	0.552	4	116.2606	0.883	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:3:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H)	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CF3)(NHS)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	116.0070	0.000	1	116.0070	0.000	1	116.5667	0.552	4	116.2606	0.883	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:3:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(NC[6a]H)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	115.0360	0.000	1	115.0360	0.000	1	115.0360	0.000	1	116.2606	0.883	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:4:1:	3:4:1:	C[5]-3:N[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(H){1|C<3>,1|S<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O){1|S<2>,2|C<3>}	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	110.6020	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:4:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[5]HH)(CCCH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	113.6460	0.000	1	113.6460	0.000	1	114.4535	1.304	2	115.0096	2.704	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:4:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H)	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCCH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CC[6a]CH)(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	115.2610	0.000	1	115.2610	0.000	1	114.4535	1.304	2	115.0096	2.704	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:4:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	115.9040	2.615	2	115.9040	6.838	2	115.3803	4.241	3	115.0096	2.704	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:4:1:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H)	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6]C[6]2H)(CC[5]HH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	114.3330	0.000	1	114.3330	0.000	1	115.3803	4.241	3	115.0096	2.704	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:4:2:	3:4:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H)	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCCO)(H){2|C<3>}	C(C[5]C[5]O[5]H)(CH3)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CH)(O){1|H<1>,2|C<3>}	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:4:3:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CH3)2(CCH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CH3)2(CCH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	112.3530	0.000	1	112.3530	0.000	1	112.3530	0.000	1	112.3530	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:4:4:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHH)(CH3)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(H){1|O<1>}	119.6780	0.000	1	119.6780	0.000	1	116.9504	2.932	5	116.9504	2.932	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:4:4:	4:3:1:	C[5]-3:O[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H)	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC3)(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(CCHO)(CH3)2	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	116.2685	0.900	4	116.2685	0.810	4	116.9504	2.932	5	116.9504	2.932	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:1:	4:4:4:4:	4:3:4:	C[5]-3:P[5]-2:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H)	C(C[5]C[5]P[5]H)(CH3)3	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]C)(P[5]C[5])(CC3)(H){1|C<3>,1|O<2>}	C(C[5]C[5]P[5]H)(CH3)3	C[5](C[5]P[5]CH)(C[5]C[5]O)(CC3){1|C<3>}	119.4955	0.292	2	119.4955	0.085	2	119.4955	0.085	2	119.4955	0.085	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(OC){2|C<3>}	C(C[5]C[5]O[5]O)(H)3	C[5](C[5,6]C[6,6a]C[5,6])(C[5]O[5]CO)(O){3|C<3>}	114.3605	0.442	2	114.3605	0.195	2	114.3605	0.195	2	112.6513	4.446	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	C(C[5]C[5]O[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CO)(O){3|C<3>}	111.1802	1.249	5	111.1802	1.559	5	112.2714	4.641	9	112.6513	4.446	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(OC){2|C<3>}	C(C[5]C[5]O[5]O)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]O[5]CO)(O){3|C<3>}	113.6355	2.415	4	113.6355	5.831	4	112.2714	4.641	9	112.6513	4.446	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)(OC){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]O)(H)3	C[5](C[6a]C[6a]2)(C[5]O[5]CO)(C[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	116.6510	0.000	1	116.6510	0.000	1	116.6510	0.000	1	116.6510	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH)	C(C[5]C[5]N[5]O)(Br)(H)2	C[5](C[5]N[5]CO)(S[5]C[5])(O)	C[5](C[5]S[5]O)(N[5]C[5])(CBrHH)(OH){1|C<3>}	C(C[5]C[5]N[5]O)(Br)(H)2	C[5](C[5]N[5]CO)(S[5]C[5])(O){1|C<3>}	111.4630	0.000	1	111.4630	0.000	1	111.4630	0.000	1	111.0295	0.376	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:1:1:1:	4:2:1:	C[5]-3:S[5]-2:C-4:O-2:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH)	C(C[5]C[5]S[5]O)(Br)(H)2	C[5](C[5]S[5]CO)(N[5]C[5])(O)	C[5](C[5]N[5]O)(S[5]C[5])(CBrHH)(OH){1|C<3>}	C(C[5]C[5]S[5]O)(Br)(H)2	C[5](C[5]S[5]CO)(N[5]C[5])(O){1|C<3>}	110.5960	0.000	1	110.5960	0.000	1	110.5960	0.000	1	111.0295	0.376	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]O[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(OH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]O[5]CO)(C[5]C[5]C)(O){1|C<4>}	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	113.8960	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:1:1:1:	4:4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6]-4:C[5]-3:	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC)	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H)	C[5](C[5]C[5]C[6])(O[5]C[5])(CH3)(OC){1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5]O[5]O)(H)3	C[5](C[5]O[5]CO)(C[6]C[6]2H)(C[5]C[5]H){1|O<1>,2|C<4>,4|H<1>}	112.9310	0.000	1	112.9310	0.000	1	112.9310	0.000	1	112.9310	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:2:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH)	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]O[5]CO)(C[5]C[5]2)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CHHO)(OH){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]O)(OH)(H)2	C[5](C[5]O[5]CO)(C[5]C[5]2)(H){1|H<1>,1|O<1>,2|C<4>}	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	114.5810	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:4:1:1:	3:4:4:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:F-1:F-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH)	C(C[5]C[5]O[5]O)(CCHH)(F)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF)	C[5](C[5]C[5]C)(O[5]C[5])(CCFF)(OH){1|O<2>,2|C<3>}	C(C[5]C[5]O[5]O)(CCHH)(F)2	C[5](C[5]C[6a]C[5])(C[5]O[5]CO)(CCFF){1|O<2>,3|C<3>}	118.2370	0.373	2	118.2370	0.139	2	118.2370	0.139	2	118.2370	0.139	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC)	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]O[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OC){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]O)(CCHH)(H)2	C[5](C[5]O[5]CO)(C[5]C[5]H)(H){1|C<3>}	113.9100	0.000	1	113.9100	0.000	1	115.1845	3.249	2	115.1845	3.249	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C[5](C[5]O[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(OH){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C[5](C[5]O[5]CO)(C[5]C[5]C)(H){1|O<1>}	116.4590	0.000	1	116.4590	0.000	1	115.1845	3.249	2	115.1845	3.249	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:4:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH)	C(C[5]C[5]O[5]O)(CC3)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CO)(O)	C[5](C[5]C[5,5]O)(O[5]C[5,5])(CCHH)(OH){1|H<1>,3|C<4>}	C(C[5]C[5]O[5]O)(CC3)(H)2	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CO)(O){1|H<1>,1|O<2>,3|C<4>}	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	110.1200	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:4:1:1:	4:4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C-4:C[5]-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC)	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)(OC){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]O)(CC[3,5]CH)(H)2	C[5](C[5]O[5]CO)(CC[3,5]HH)(C[5]C[5]C){1|O<1>}	113.6260	0.000	1	113.6260	0.000	1	113.6260	0.000	1	114.7140	2.367	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:4:1:1:	4:4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH)	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	C[5](C[5]C[5]C)(O[5]O[5])(CCHH)(OH){2|C<4>}	C(C[5]C[5]O[5]O)(CC[5,6]CH)(H)2	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	114.7140	2.367	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:4:4:1:	3:4:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH)	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H)	C[5](C[5]C[5,6]H)(O[5]C[5,6])(CCCH)(OH){2|C<3>}	C(C[5]C[5]O[5]O)(CCHH)(CH3)(H)	C[5](C[5,6]C[5,6]C[6])(C[5]O[5]CO)(H){1|C<4>,2|C<3>}	113.7590	0.161	2	113.7590	0.026	2	113.7590	0.026	2	113.7590	0.026	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:4:4:1:	3:4:3:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C-3:C[5]-4:N[5]-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC)	C(C[5]C[5]O[5]O)(CH3)2(H)	C[5](CC[5a]C[6a])(C[5]O[5]CO)(N[5]C[5]Zn)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(OC){1|Zn<5>,1|C<3>}	C(C[5]C[5]O[5]O)(CH3)2(H)	C[5](CC[5a]C[6a])(C[5]O[5]CO)(N[5]C[5]Zn){1|C<3>}	115.8470	0.000	1	115.8470	0.000	1	115.8470	0.000	1	115.8470	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:4:4:4:	4:2:1:	C[5]-3:O[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH)	C(C[5]C[5]O[5]O)(CH3)3	C[5](C[5]O[5]CO)(O[5]C[5])(O)	C[5](C[5]O[5]O)(O[5]C[5])(CC3)(OH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]O)(CH3)3	C[5](C[5]O[5]CO)(O[5]C[5])(O){1|C<3>,1|C<4>}	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	116.3530	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:2:	4:4:4:4:	4:3:4:	C[5]-3:N[5]-2:C-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO)	C(C[5]C[5]N[5]O)(CH3)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CC3)(OO){2|C<4>}	C(C[5]C[5]N[5]O)(CH3)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(CH3){1|C<4>}	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	115.5130	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)(CCH){2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	109.1430	0.330	2	109.1430	0.109	2	109.1430	0.109	2	109.8504	2.305	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O){1|O<1>,2|C<3>}	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	109.8504	2.305	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH)	C(C[5]C[5]O[5]N)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CN)(O)	C[5](C[5]N[5,6]O)(O[5]C[5,6])(CH3)(NCH){1|O<2>,2|C<4>}	C(C[5]C[5]O[5]N)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CN)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	110.3515	2.727	2	110.3515	7.438	2	110.3515	7.438	2	109.8504	2.305	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5])(CH3)(COO)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5])(CH3)(COO){1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	112.5280	0.677	2	112.5280	0.459	2	112.5280	0.459	2	112.2063	0.540	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:1:1:1:	4:2:1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	111.5630	0.000	1	111.5630	0.000	1	111.5630	0.000	1	112.2063	0.540	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]O)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)(COO){1|O<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]O)(H){1|O<1>}	113.9460	0.572	4	113.9460	0.327	4	113.9460	0.327	4	112.9288	2.697	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)(CCH){1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(O){1|C<4>}	110.8945	0.301	2	110.8945	0.090	2	110.8945	0.090	2	112.9288	2.697	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:1:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){1|C<3>,3|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O){1|H<1>,2|C<3>,2|C<4>}	109.7360	0.000	1	110.5265	1.250	2	110.5265	1.250	2	110.5265	1.250	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:1:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O)	C[5](C[5]C[5,6]O)(O[5]C[5,6])(CH3)(COO){4|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]O[5]CC)(O){1|C<3>,1|H<1>,3|C<4>}	111.3170	0.000	1	110.5265	1.250	2	110.5265	1.250	2	110.5265	1.250	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:3:4:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(COO){2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	112.2070	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:4:3:1:	4:2:3:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:N-3:	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]O[5]CC)(O[5]B[5])(NCC)	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO){2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]O[5]CC)(O[5]B[5])(NCC){2|F<1>}	111.7395	0.047	2	111.7395	0.002	2	111.6550	0.010	4	111.6550	0.010	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:4:3:1:	4:2:3:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:N-3:	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]O[5]CC)(O[5]B[5])(NCO)	C[5](C[5]O[5]N)(O[5]B[5])(CCCH)(CCO){2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]O[5]CC)(O[5]B[5])(NCO){2|F<1>}	111.5705	0.011	2	111.5705	0.000	2	111.6550	0.010	4	111.6550	0.010	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:4:3:1:	4:3:2:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O[5]-2:	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]O[5]CC)(N[5]C[5]2)(O[5]B[5])	C[5](C[5]N[5]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]O[5]CC)(N[5]C[5]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	112.5335	1.217	4	112.5335	1.482	4	112.5335	1.482	4	112.3486	1.092	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:4:3:1:	4:3:2:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[6]-3:O[5]-2:	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5])	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	112.1020	0.945	3	112.1020	0.893	3	112.1020	0.893	3	112.3486	1.092	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:4:3:1:	4:4:1:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO)	C(C[5]C[5]O[5]C)(CCHH)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCCH)(COO){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(CCH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	107.4660	0.000	1	107.4660	0.000	1	107.4660	0.000	1	107.4660	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:4:4:1:	4:3:2:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[6]-3:O[5]-2:	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO)	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5])	C[5](C[5]N[6]O[5])(O[5]B[5])(CCCH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(CBrCH)(CH3)(H)	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	120.7880	0.000	1	120.7880	0.000	1	120.7880	0.000	1	119.2580	4.682	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:4:4:1:	4:3:2:	C[5]-3:O[5]-2:C-4:C-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[6]-3:O[5]-2:	C[5](C[5]N[6]O[5])(O[5]B[5])(CC[5]CH)(CCO)	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5])	C[5](C[5]N[6]O[5])(O[5]B[5])(CC[5]CH)(CCO){2|C<4>,2|F<1>}	C(C[5]C[5]O[5]C)(C[5]C[5]O[5]H)(CH3)(H)	C[5](C[5]O[5]CC)(N[6]C[6]2)(O[5]B[5]){2|C<4>,2|F<1>,4|H<1>}	117.7280	0.000	1	117.7280	0.000	1	117.7280	0.000	1	119.2580	4.682	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:3:	4:4:4:4:	4:3:3:	C[5]-3:O[5]-2:C-4:N-3:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH)	C(C[5]C[5]O[5]N)(CH3)3	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si)	C[5](C[5]C[5]C)(O[5]C[5])(CC3)(NHH){1|C<3>,2|C<4>}	C(C[5]C[5]O[5]N)(CH3)3	C[5](C[5]O[5]CN)(C[5]C[5]C)(CC[6a]Si){2|C<4>}	116.3630	0.000	1	116.3630	0.000	1	116.3630	0.000	1	116.3630	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	3:4:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:S-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]HH)(SC[6a]OO){2|C<3>}	C(C[6a]C[6a]N[6a])(C[5]C[5]O[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CS)(O){1|H<1>,2|C<3>}	114.6930	0.000	1	114.6930	0.000	1	114.6930	0.000	1	114.6930	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|O<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|O<1>,2|H<1>,4|C<3>}	113.4420	0.491	2	113.4420	0.241	2	113.4420	0.241	2	113.4420	0.241	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]CC)(O)	C[5](C[5]N[5,6]O)(N[5]C[5,6])(CH3)2{2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]CC)(O){1|C<3>,3|C<4>}	110.5990	0.305	2	110.5990	0.093	2	110.5990	0.093	2	111.4288	3.777	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|N<3>,2|C<3>}	110.0525	1.904	2	110.0525	3.626	2	110.0525	3.626	2	111.4288	3.777	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[4,5]-3:C[5]-4:H-1:	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2	C(C[5]C[5]O[5]C)(F)3	C[5](C[4,5]I[4,5]C[4])(C[5]O[5]CC)(H)	C[5](C[5]C[4,5]H)(O[5]I[4,5])(CF3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(F)3	C[5](C[4,5]I[4,5]C[4])(C[5]O[5]CC)(H){1|O<2>,2|C<4>}	108.6840	0.040	2	108.6840	0.002	2	108.6840	0.002	2	111.4288	3.777	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O){3|C<3>}	109.1330	0.000	1	109.1330	0.000	1	110.4540	1.351	3	111.4288	3.777	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	111.1145	0.292	2	111.1145	0.085	2	110.4540	1.351	3	111.4288	3.777	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:Cl-1:	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl)	C[5](C[5]C[5]Cl)(O[5]C[5,6])(CH3)2{1|C<3>,1|I<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5,6]I)(C[5]O[5]CC)(Cl){1|C<3>,1|O<2>}	112.7705	1.030	2	112.7705	1.061	2	112.7705	1.061	2	111.4288	3.777	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(H){1|O<1>,2|C<3>}	112.8705	0.404	4	112.8705	0.164	4	112.8705	0.164	4	111.4288	3.777	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O){1|O<1>,2|C<3>}	113.6170	2.809	2	113.6170	7.888	2	113.6170	7.888	2	111.4288	3.777	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-2:	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]B[5])(C[5]O[5]CC)(CC)	C[5](C[5]C[5]C)(O[5]B[5])(CH3)2{1|C<3>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]B[5])(C[5]O[5]CC)(CC){1|O<2>,2|C<3>}	112.0345	1.143	2	112.0345	1.307	2	112.0345	1.307	2	112.3862	0.450	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-2:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OC){1|O<1>,2|C<3>}	112.3590	0.075	2	112.3590	0.006	2	112.5620	0.191	4	112.3862	0.450	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-2:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[6a]C[5])(C[5]O[5]CC)(OH){1|O<1>,2|C<3>}	112.7650	0.634	2	112.7650	0.401	2	112.5620	0.191	4	112.3862	0.450	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]2)(C[5]O[5]CC)(CHH){1|C<3>,1|N<3>,1|S<2>}	113.0850	0.000	1	113.0850	0.000	1	112.8271	1.249	9	112.9389	1.614	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	112.6842	0.401	4	112.6842	0.160	4	112.8271	1.249	9	112.9389	1.614	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)2{2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CP[6]H){1|H<1>,2|C<3>}	112.0095	2.469	2	112.0095	6.094	2	112.8271	1.249	9	112.9389	1.614	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3){2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	113.8015	0.187	2	113.8015	0.035	2	112.8271	1.249	9	112.9389	1.614	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	115.1500	0.000	1	115.1500	0.000	1	114.1092	1.216	5	112.9389	1.614	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CH3)2{1|C<2>,3|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]C){2|H<1>,3|C<3>}	113.8490	1.081	4	113.8490	1.170	4	114.1092	1.216	5	112.9389	1.614	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	112.7790	0.000	1	112.7790	0.000	1	112.4713	0.160	3	112.9389	1.614	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[5]C[6])(C[5]O[5]CC)(CHH)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[5]C[6])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	112.0190	0.000	1	112.0190	0.000	1	112.4713	0.160	3	112.9389	1.614	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH)	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	112.6160	0.000	1	112.6160	0.000	1	112.4713	0.160	3	112.9389	1.614	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:O-1:	C[5,6a]-3:C[5]-4:C-3:	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H)	C[5](C[5]C[5,6a]C)(O[5]C[5,6a])(CHHO)(CH3){2|C<3>}	C(C[5]C[5]O[5]C)(H)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]H){1|H<1>,2|C<3>}	111.2175	0.571	2	111.2175	0.326	2	111.2175	0.326	2	112.9389	1.614	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	110.3540	0.000	1	110.3540	0.000	1	110.5563	1.709	3	109.9847	2.131	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5])(CH3)2{1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<4>}	110.6575	1.832	2	110.6575	3.357	2	110.5563	1.709	3	109.9847	2.131	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	111.6540	0.000	1	111.6540	0.000	1	112.3485	0.965	2	109.9847	2.131	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	113.0430	0.000	1	113.0430	0.000	1	112.3485	0.965	2	109.9847	2.131	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:1:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]S[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]S[5]CC)(N[5]C[5])(O){1|C<3>,1|C<4>}	109.2425	0.260	2	109.4478	1.282	12	109.4478	1.282	12	109.9847	2.131	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:1:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]S[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]S[5]CC)(N[5]C[5])(O){1|C<3>}	109.4567	1.318	8	109.4478	1.282	12	109.4478	1.282	12	109.9847	2.131	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:1:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]S[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|N<3>}	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]S[5]CC)(N[5]C[5])(O){1|N<3>}	109.6175	1.315	2	109.4478	1.282	12	109.4478	1.282	12	109.9847	2.131	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:N-2:	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(NO)	C[5](C[5]O[5]N)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(NO){1|C<3>,1|C<4>}	111.7805	0.964	2	111.7805	0.929	2	111.7805	0.929	2	111.7805	0.929	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:3:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5]O[5]C)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(CCH)	C[5](C[5]O[5]C)(N[5]C[5])(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(CCH){1|C<3>}	111.9410	0.799	2	111.9410	0.638	2	111.9410	0.638	2	112.5615	2.285	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H)	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H){1|C<3>,1|C<4>}	113.1265	3.053	2	112.8717	3.211	4	112.8717	3.211	4	112.5615	2.285	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H)	C[5](C[5]O[5]C)(O[5]C[5])(CH3)2{1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]C[5])(CC[6a]H){1|O<1>}	112.6170	0.233	2	112.8717	3.211	4	112.8717	3.211	4	112.5615	2.285	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<3>}	116.0090	6.671	2	114.5772	88.479	4	114.5772	88.479	4	114.5772	88.479	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:2:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3)	C[5](C[5]O[5]C)(O[5]B[5])(CH3)2{1|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(CH3){1|C<4>}	113.1455	14.585	2	114.5772	88.479	4	114.5772	88.479	4	114.5772	88.479	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Cu)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|Cu<5>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Cu)(O){1|C<3>}	109.0170	0.000	1	109.0170	0.000	1	109.8238	0.839	14	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>}	109.1353	1.068	3	109.3717	0.985	4	109.8238	0.839	14	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|S<1>}	110.0810	0.000	1	109.3717	0.985	4	109.8238	0.839	14	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>}	110.3670	0.000	1	110.3670	0.000	1	109.8238	0.839	14	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CH3)2{1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|O<1>}	110.0828	0.899	8	110.0828	0.808	8	109.8238	0.839	14	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|C<3>}	111.3825	0.233	2	111.3825	0.054	2	112.8654	1.895	11	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]Br)(H){1|O<1>}	111.5270	0.000	1	111.5270	0.000	1	112.8654	1.895	11	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<2>}	113.5637	0.752	4	113.5637	0.565	4	112.8654	1.895	11	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|C<3>}	113.2430	1.682	4	113.2430	2.829	4	112.8654	1.895	11	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<3>}	110.1000	0.000	1	110.1000	0.000	1	111.3960	1.800	3	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<4>}	112.0440	1.039	2	112.0440	1.080	2	111.3960	1.800	3	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5]O)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5]O)(O){1|C<3>,1|H<1>}	110.7160	2.490	2	110.7160	6.202	2	111.9567	7.719	3	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5]C)(O){1|O<1>}	114.4380	0.000	1	114.4380	0.000	1	111.9567	7.719	3	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:1:	C[5]-3:S[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]S[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(S[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]S[5]C)(H)3	C[5](C[5]S[5]CC)(N[5]C[5]H)(O){1|C<3>,1|C<4>}	109.2335	0.668	2	109.2335	0.447	2	109.2335	0.447	2	111.1387	3.619	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:S-2:	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]S[5]C)(SC[5a])	C[5](C[5]C[5]S)(O[5]S[5])(CH3)2{1|C<3>,2|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]S[5]C)(SC[5a]){2|O<1>}	112.4730	0.771	2	112.4730	0.594	2	112.4730	0.594	2	112.4730	0.594	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCC){1|O<1>}	113.0985	1.549	2	113.0985	2.400	2	113.5875	1.091	51	113.4665	1.359	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|C<3>}	113.5552	0.953	37	113.5268	0.875	39	113.5875	1.091	51	113.4665	1.359	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CCH){1|O<1>}	113.0015	0.012	2	113.5268	0.875	39	113.5875	1.091	51	113.4665	1.359	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<2>,1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(CHN){1|C<3>}	114.0480	0.911	2	114.0480	0.829	2	113.5875	1.091	51	113.4665	1.359	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|C<3>}	114.3210	2.871	2	113.8909	2.330	8	113.5875	1.091	51	113.4665	1.359	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|C<3>}	114.0768	1.436	4	113.8909	2.330	8	113.5875	1.091	51	113.4665	1.359	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,1|S<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CCH){1|O<1>}	113.0890	0.291	2	113.8909	2.330	8	113.5875	1.091	51	113.4665	1.359	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiC)	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiC){2|C<4>}	112.4635	2.481	4	112.4635	6.156	4	112.7860	2.932	8	113.4665	1.359	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiO)	C[5](C[5]C[5]N)(O[5]C[5])(CH3)2{1|N<3>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]N)(NNiO){2|C<4>}	113.1085	0.639	4	113.1085	0.409	4	112.7860	2.932	8	113.4665	1.359	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]H)	C[5](C[5]N[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]H){1|O<1>}	113.1010	1.328	2	113.1010	1.763	2	113.1010	1.763	2	113.4665	1.359	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3){1|C<4>}	112.2610	0.000	1	112.2610	0.000	1	112.2610	0.000	1	112.9813	1.804	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3)	C[5](C[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,1|S<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]S)(CH3){1|C<3>}	113.3415	1.682	2	113.3415	2.830	2	113.3415	2.830	2	112.9813	1.804	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]CC)(O){1|C<4>,1|O<2>}	111.7260	0.000	1	111.7260	0.000	1	110.5730	2.427	10	110.5730	2.427	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	111.8730	0.000	1	111.8730	0.000	1	110.5730	2.427	10	110.5730	2.427	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]ClS)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|Cl<1>,1|C<3>,1|H<1>,1|S<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]ClS)(C[5]O[5]CC)(O){1|C<3>,1|H<1>}	110.5775	2.988	2	110.5775	8.925	2	110.5730	2.427	10	110.5730	2.427	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<3>,1|S<4>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O){1|C<3>,1|H<1>}	110.2037	1.485	4	110.1627	1.777	6	110.5730	2.427	10	110.5730	2.427	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CH3)2{1|C<4>,1|S<4>,2|H<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]C[5]HS)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	110.0805	1.500	2	110.1627	1.777	6	110.5730	2.427	10	110.5730	2.427	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH)	C[5](C[5]C[5,5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,5]C[5]3)(C[5]O[5]CC)(CCH){1|H<1>,2|C<3>,2|O<1>}	112.4640	1.404	2	112.4640	1.972	2	112.4640	1.972	2	112.4182	3.431	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H)	C[5](C[5]C[5,6]C)(O[5]C[5,6])(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(CC[5a]H){1|C<4>,2|C<3>,2|H<1>}	112.3670	2.737	2	112.3670	7.488	2	112.3670	7.488	2	112.4182	3.431	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:1:1:1:	4:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	C[5](C[5]C[5]C)(O[5]O[5])(CH3)2{1|C<4>,1|O<2>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]O[5]CO)(CC[5,6]H)	112.4235	2.773	2	112.4235	7.687	2	112.4235	7.687	2	112.4182	3.431	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:2:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3)	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CHHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(OC)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]C)(O){1|O<1>}	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)(CH3){2|C<3>}	C(C[5]C[5]O[5]C)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6,6a])(C[5]O[5]CC)(O){3|C<3>}	113.0360	0.000	1	113.0360	0.000	1	112.6759	1.425	7	112.6759	1.425	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2{2|C<3>}	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	110.4520	0.000	1	110.4520	0.000	1	112.6759	1.425	7	112.6759	1.425	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CCHH)2{2|C<3>}	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	114.4720	0.000	1	114.4720	0.000	1	112.6759	1.425	7	112.6759	1.425	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	112.5753	0.203	3	112.5753	0.041	3	112.6759	1.425	7	112.6759	1.425	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	113.0450	0.000	1	113.0450	0.000	1	112.6759	1.425	7	112.6759	1.425	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]CC)(CHH)	C[5](C[5]N[5]C)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](N[5]C[5]C[6])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	112.2490	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:1:1:	4:2:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCC)(H)2	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(O[5]C[5])(CCHH)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(CCC)(H)2	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	113.0920	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:1:1:	4:3:4:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]C)(N[5]C[5])(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(CH3){1|C<4>}	112.5820	0.000	1	112.5820	0.000	1	112.5820	0.000	1	112.5820	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]O[5]C)(CCC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(O){1|C<4>,1|O<2>}	111.9250	0.000	1	111.9250	0.000	1	110.7405	2.806	2	110.7405	2.806	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:1:1:	4:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	109.5560	0.000	1	109.5560	0.000	1	110.7405	2.806	2	110.7405	2.806	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3)	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	111.7030	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:3:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:3:4:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	109.4500	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	3:3:4:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC)	C[5](C[5]C[6a]C[5])(O[5]P[5])(CCHH)2{1|S<1>,4|C<3>}	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]C[6a]P[5])(C[6a]C[6a]2)(C[5]O[5]CC){1|S<1>,2|H<1>,5|C<3>}	113.8222	1.152	4	113.8222	1.327	4	113.8222	1.327	4	113.8222	1.327	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[3]HH)(CCHH){2|C<3>}	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	111.2127	0.414	3	111.2127	0.171	3	111.2127	0.171	3	110.5899	3.836	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:F-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3)	C(C[5]C[5]O[5]C)(CH3)(F)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CCFH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)(F)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(O){1|O<1>,2|C<3>}	108.0245	1.566	2	108.0245	2.453	2	108.0245	2.453	2	110.5899	3.836	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	3:4:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH)	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(CC[6a]CH)(CCHH){2|C<3>}	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(O){1|H<1>,2|C<3>}	112.1810	0.000	1	112.1810	0.000	1	112.1810	0.000	1	110.5899	3.836	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	3:4:1:	C[5]-3:O[5]-2:C[6]-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH)	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O)	C[5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[6]C[6]2H)(CCHH){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5]C[6]O[5])(CC[6]CH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]O[5]C)(O){1|C<4>,2|H<1>,3|C<3>}	111.4255	2.409	2	111.4255	5.804	2	111.4255	5.804	2	110.5899	3.836	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCCH)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(O[5]C[5])(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5]O[5]C)(CCCH)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	115.2910	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>}	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	112.6298	2.127	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|C<3>}	113.5235	0.107	2	113.5235	0.011	2	113.5443	0.008	4	112.6298	2.127	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2{1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	113.4930	0.000	1	113.4930	0.000	1	113.5443	0.008	4	112.6298	2.127	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CHHS)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHH)2{1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(CHHS)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	113.6370	0.000	1	113.6370	0.000	1	113.5443	0.008	4	112.6298	2.127	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[6]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3)	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(O[5]C[5])(CC[6]HH)(CH3){1|H<1>,1|O<1>}	C(C[6]C[6,6]C[6]H)(C[5]C[5]O[5]C)(H)2	C[5](C[5]O[5]CC)(N[5]C[5]H)(O){1|O<1>}	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	112.6298	2.127	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	4:3:2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(O[5]C[5])(CCHH)2{1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(OH){1|O<1>}	110.4320	0.102	2	110.4320	0.010	2	110.4320	0.010	2	110.4320	0.010	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:1:1:	4:3:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]C)(O[5]C[5])(CCHH)2{1|C<3>,1|C<4>,1|N<3>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(CC[6a]H){1|C<4>,1|N<3>}	113.0965	2.474	2	113.0965	6.122	2	113.0965	6.122	2	113.0965	6.122	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:2:1:	4:2:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(CCCH)(OC)(H)	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	109.8100	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:2:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3)	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)(O[5]C[5])(CCHO)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(CCHH)(OH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<3>}	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	110.7160	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:3:1:	3:4:3:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	N[5]-3:C[5]-4:C-3:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3)	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH)	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)(CH3){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)(CCH)(H)	C[5](N[5]C[6a]C[5])(C[5]O[5]CC)(CHH){1|O<1>,2|C<3>}	113.3980	0.000	1	113.3980	0.000	1	113.3980	0.000	1	113.3980	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:3:1:	4:2:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3)	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5])(CCHN)(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(CH3)(NHS)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	109.5570	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:4:1:	3:4:2:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C-3:C[5]-4:N[5]-2:	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)2	C(C[5]C[5]O[5]C)(CH3)2(H)	C[5](CC[5a]C[6a])(C[5]O[5]CC)(N[5]C[5])	C[5](C[5]N[5]C)(O[5]C[5])(CCCH)2{1|C<3>}	C(C[5]C[5]O[5]C)(CH3)2(H)	C[5](CC[5a]C[6a])(C[5]O[5]CC)(N[5]C[5]){1|C<3>}	112.0460	0.506	2	112.0460	0.256	2	112.0460	0.256	2	112.0460	0.256	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]Cu)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|Cu<5>,1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]Cu)(O){1|C<3>}	109.8160	0.000	1	109.8160	0.000	1	110.4078	0.430	5	110.4025	0.344	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>}	110.8390	0.399	3	110.5558	0.427	4	110.4078	0.430	5	110.4025	0.344	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5])(CCCH)(CH3){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|S<1>}	109.7060	0.000	1	110.5558	0.427	4	110.4078	0.430	5	110.4025	0.344	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:4:1:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C[6]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3)	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CC[6]CH)(CH3){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6]C[6]2H)(CCHH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]Br)(H){1|O<1>}	110.3760	0.000	1	110.3760	0.000	1	110.3760	0.000	1	110.4025	0.344	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:2:4:4:	4:4:4:4:	4:3:1:	C[5]-3:O[5]-2:C-4:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3)	C(C[5]C[5]O[5]C)(CH3)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(O[5]C[5])(CCHO)(CC3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(CH3)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	114.2000	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:O-2:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3)	C(C[5]C[5]2O)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3){1|C<3>}	C(C[5]C[5]2O)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	113.8990	0.748	2	113.8990	0.560	2	113.8990	0.560	2	113.8990	0.560	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:2:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:O[5]-2:C-3:	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(CCH)	C[5](C[6a]C[6a]2)(C[5]O[5]C)(O[5]C[5])(CF3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(CCH){1|C<4>,3|C<3>}	111.1735	1.067	2	111.1735	1.139	2	111.1735	1.139	2	111.1735	1.139	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:2:4:	C[5]-3:C[5]-3:O-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(ON[5])(CH3){1|C<3>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	115.4460	2.219	2	115.4460	4.924	2	115.4460	4.924	2	115.4460	4.924	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:S-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(CH3)	C(C[5]C[5,6a]C[5]S)(H)3	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(SC[6a])(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]S)(H)3	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]C)(O){2|C<3>}	111.1955	0.476	2	111.1955	0.226	2	111.1955	0.226	2	111.5769	1.955	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	113.3880	0.479	2	113.3880	0.230	2	113.3880	0.230	2	111.5769	1.955	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:1:	C[5a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3)	C(C[5]C[5a]C[5]O[5])(F)3	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[5a]C[5a]S[5a])(C[5]C[5]H)(O[5]C[5])(CF3){1|H<1>,1|N<2>,3|C<3>}	C(C[5]C[5a]C[5]O[5])(F)3	C[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,1|S<2>,3|C<3>}	110.4760	0.000	1	110.4760	0.000	1	110.4760	0.000	1	111.5769	1.955	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3)	C(C[5]C[6a]C[5]N[5])(F)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CF3){3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(F)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O){3|C<3>}	108.8050	0.000	1	108.8050	0.000	1	108.8050	0.000	1	111.5769	1.955	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3)	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CF3){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(F)3	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H){1|N<2>,4|C<3>}	111.8303	0.616	4	111.8303	0.380	4	111.8303	0.380	4	111.5769	1.955	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3)	C(C[5]C[5,6a]C[5]O[5])(H)3	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(O[5]C[5])(CH3){1|O<2>,2|C<3>,2|O<1>,3|C<4>}	C(C[5]C[5,6a]C[5]O[5])(H)3	C[5](C[5]C[5,6a]O[5]C)(C[5]C[5]C)(C[5]O[5]O){1|H<1>,1|O<2>,3|C<3>}	115.0850	0.000	1	115.0850	0.000	1	115.0850	0.000	1	112.0186	5.136	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O)	C[5](C[5]C[5]2)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	111.7620	1.394	2	111.7620	1.944	2	111.7620	1.944	2	112.0186	5.136	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,1|O<1>,5|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	109.8315	2.774	2	110.2893	4.476	3	110.2893	4.476	3	112.0186	5.136	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|Cl<1>,1|H<1>,6|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){2|H<1>,7|C<3>}	111.2050	0.000	1	110.2893	4.476	3	110.2893	4.476	3	112.0186	5.136	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH)	C(C[5]C[6a]C[5]O[5])(Br)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CBrHH){1|N<2>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(Br)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(COO){1|N<2>,2|C<3>}	114.5760	0.000	1	114.5760	0.000	1	114.5760	0.000	1	112.0186	5.136	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(CHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]O[5])(H)3	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(CHH){3|C<3>}	112.0960	0.000	1	112.0960	0.000	1	112.0960	0.000	1	112.0186	5.136	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaC[5])(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5])(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	117.7097	5.274	8	117.7097	27.814	8	118.6989	36.871	18	120.4003	36.670	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaMo)(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaMo)(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	120.5985	2.112	2	120.5985	4.461	2	118.6989	36.871	18	120.4003	36.670	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaRh)(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRh)(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	125.1610	0.614	2	125.1610	0.377	2	118.6989	36.871	18	120.4003	36.670	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Ga-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaRu)(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu)(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	117.2307	7.947	6	117.2307	63.157	6	118.6989	36.871	18	120.4003	36.670	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:In-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(InRh)(CH3)	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InRh)(CH3){2|C<4>}	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	125.9670	1.360	4	125.9670	1.850	4	125.5042	1.641	6	120.4003	36.670	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:In-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(InRu)(CH3)	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InRu)(CH3){2|C<4>}	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	124.5785	0.286	2	124.5785	0.082	2	125.5042	1.641	6	120.4003	36.670	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:3:1:1:	4:3:1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCC)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(CCC)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	112.9800	0.000	1	112.9800	0.000	1	115.1925	9.790	2	113.7303	11.309	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:3:1:1:	4:3:1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(CC[6a]O)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(H){1|O<1>,4|C<3>}	117.4050	0.000	1	117.4050	0.000	1	115.1925	9.790	2	113.7303	11.309	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:3:1:1:	4:3:1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCH)(H)2	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CCH)(H)2	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O){1|O<1>,2|C<3>}	110.8060	0.000	1	110.8060	0.000	1	110.8060	0.000	1	113.7303	11.309	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:3:1:1:	4:3:3:	C[5]-3:C[6a]-3:O[5]-2:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(COO)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(CCHH){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[6a]C[5]O[5])(COO)(H)2	C[5](C[5]C[6a]O[5]C)(C[5]C[6a]C[5])(C[6a]C[6a]2){1|O<1>,2|H<1>,6|C<3>}	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	114.0110	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:4:1:1:	4:2:2:	C[5,6a]-3:C[5]-3:S-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:S-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SC[6a])(CCHH)	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a])(SC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(SC[6a])(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]S)(CCHH)(H)2	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a])(SC[6a]){2|C<3>}	113.0830	0.000	1	113.0830	0.000	1	113.0830	0.000	1	113.0830	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH)	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCHH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CCHH)(H)2	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(O){1|O<1>,2|C<3>}	105.4990	0.000	1	105.4990	0.000	1	105.4990	0.000	1	105.4990	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:4:3:1:	4:2:1:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN)	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	C[5](C[5]C[6a]N[5]C)(S[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5])(CCHN){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(CH3)(NCH)(H)	C[5](C[5]C[6a]N[5]C)(S[5]C[5])(O){3|C<3>}	107.9570	1.106	3	107.9570	1.224	3	107.9570	1.224	3	107.9570	1.224	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:4:3:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH)	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5])(CCCH){1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(CCHH)(CCH)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(O){1|N<3>,4|C<3>}	107.7545	0.967	2	107.7545	0.934	2	107.7545	0.934	2	108.4727	2.014	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:2:4:	4:4:3:1:	4:3:1:	C[6a]-3:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH)	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(O[5]C[5])(CCCH){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(CH3)(CCH)(H)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]S)(O){1|O<1>,2|C<3>}	109.9090	0.000	1	109.9090	0.000	1	109.9090	0.000	1	108.4727	2.014	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3)	C(C[5]C[5]2N)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CN)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2N)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CN)(O){2|C<3>,2|C<4>}	106.0390	0.000	1	106.0390	0.000	1	106.0390	0.000	1	106.1815	0.041	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	C(C[5]C[5a]C[5]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3){1|C<4>,1|N<3>,4|C<3>}	C(C[5]C[5a]C[5]N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	106.3240	0.000	1	106.3240	0.000	1	106.3240	0.000	1	106.1815	0.041	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CH3){2|H<1>,8|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	109.6792	0.479	4	109.6792	0.229	4	109.6792	0.229	4	109.6792	0.229	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CH3){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O){4|C<3>}	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:2:2:	C[5,6]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:O[5]-2:N-2:	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3)	C(C[5]C[5,6]C[6a]C[5])(F)3	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(NO)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]N)(CF3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[6a]C[5])(F)3	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(NO){1|C<4>,3|C<3>}	110.0040	0.000	1	110.0040	0.000	1	110.0040	0.000	1	109.2003	3.802	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:2:2:	N[5,6]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:Br-1:Br-1:H-1:	C[5]-4:N[5]-2:N-2:	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(CBr2H)	C(C[5]N[5,6]C[6a]C[5])(Br)2(H)	C[5](C[5]N[5,6]C[6a]C)(N[5]C[5,6])(NS)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]N)(CBr2H){3|H<1>,4|C<3>}	C(C[5]N[5,6]C[6a]C[5])(Br)2(H)	C[5](C[5]N[5,6]C[6a]C)(N[5]C[5,6])(NS){4|C<3>}	106.9770	0.000	1	106.9770	0.000	1	106.9770	0.000	1	109.2003	3.802	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:2:2:	N[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-2:	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]S[5])(OC)	C[5](N[5]C[6a]S[5])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]S[5])(OC){1|O<1>,3|C<3>}	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	109.2003	3.802	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:2:3:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3)	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H){2|C<3>}	106.9480	0.000	1	106.9480	0.000	1	106.9480	0.000	1	108.7166	1.237	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:2:3:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:N-3:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5])(NHH)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3){1|S<2>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5])(NHH){1|C<2>,1|S<2>,2|C<3>}	109.1587	0.589	4	109.1587	0.347	4	109.1587	0.347	4	108.7166	1.237	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)(CF3)	C(C[5]C[5,6a]C[5]C)(F)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]F)(CF3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(F)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	105.7660	0.659	2	105.7660	0.434	2	105.7660	0.434	2	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.7830	0.389	2	108.7830	0.151	2	107.8588	1.534	4	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.6530	0.000	1	107.6530	0.000	1	107.8588	1.534	4	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5]O)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5]O)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	106.2160	0.000	1	106.2160	0.000	1	107.8588	1.534	4	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3)	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]O)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	109.1605	0.459	2	109.1605	0.211	2	109.1605	0.211	2	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(H){6|C<3>}	109.7620	0.000	1	109.7620	0.000	1	109.7555	0.000	2	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|O<2>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[6a])(H){6|C<3>}	109.7490	0.000	1	109.7490	0.000	1	109.7555	0.000	2	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	105.9120	0.000	1	106.4600	0.601	2	106.0400	0.830	3	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	107.0080	0.000	1	106.4600	0.601	2	106.0400	0.830	3	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CH3){1|N<3>,2|C<3>,2|N<2>,3|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	105.2000	0.000	1	105.2000	0.000	1	106.0400	0.830	3	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:I-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI)	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHI){1|S<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)2(I)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O){4|C<3>}	109.3740	0.000	1	109.3740	0.000	1	109.3740	0.000	1	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-1:	C[5](C[5]C[5]C)2(GaClRu)(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(C)	C[5](C[5]C[5]C)2(GaClRu)(CH3){2|C<1>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(C){2|C<1>}	117.0585	1.524	2	117.0585	2.322	2	117.0585	2.322	2	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H){1|N<3>,3|C<3>}	111.7210	0.000	1	111.7210	0.000	1	111.7210	0.000	1	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[5a]C[5]N[5])(H)3	C[5](C[5]C[5a]N[5]C)(N[5]C[6a]C[5])(O)	C[5](C[5a]C[5a]O[5a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|H<1>,1|S<1>,3|C<3>}	C(C[5]C[5a]C[5]N[5])(H)3	C[5](C[5]C[5a]N[5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|O<2>,1|S<1>,3|C<3>}	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6]-3:N[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3)	C(C[5]C[5]C[6]N[5])(H)3	C[5](C[5]C[6]N[5]C)(N[5]C[5]H)(O)	C[5](C[6]C[6]N[6])(N[5]C[5]Pt)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]C[6]N[5])(H)3	C[5](C[5]C[6]N[5]C)(N[5]C[5]H)(O){1|Pt<4>,1|C<3>,1|N<3>,1|O<1>}	109.7615	0.892	2	109.7615	0.795	2	109.7615	0.795	2	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(C[5]C[5]C)(H){1|O<2>,3|C<3>}	113.7920	0.000	1	113.7920	0.000	1	113.7920	0.000	1	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	110.5980	0.000	1	110.5980	0.000	1	109.0414	2.598	19	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){3|C<3>,4|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[6a]C[5])(O){1|C<4>,2|H<1>,4|C<3>}	111.1080	0.000	1	111.1080	0.000	1	109.0414	2.598	19	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	106.0320	0.000	1	106.0320	0.000	1	109.0414	2.598	19	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O){1|H<1>,1|O<1>,2|C<3>}	109.6708	1.392	6	109.6708	1.937	6	109.0414	2.598	19	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]N)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]H)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]N)(O){1|H<1>,1|O<1>,2|C<3>}	109.3650	0.000	1	109.3650	0.000	1	109.0414	2.598	19	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]N)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|N<3>,1|O<1>,2|C<3>}	109.8237	0.438	3	109.8237	0.192	3	109.0414	2.598	19	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3){2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|O<2>,2|C<3>,2|C<4>}	106.9330	0.000	1	106.9330	0.000	1	109.0414	2.598	19	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]S)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O){1|O<1>,1|S<4>,2|C<3>}	107.4712	0.428	4	107.4712	0.183	4	109.0414	2.598	19	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]N[6a])(C[5]N[5]O)(N[5]C[5]H)(CH3){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	110.3700	0.000	1	110.3700	0.000	1	109.0414	2.598	19	109.2313	6.945	40	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:2:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(OC)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(H)3	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C[5a])(OC){6|C<3>}	110.4290	0.000	1	110.4290	0.000	1	110.4290	0.000	1	109.5588	8.031	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:2:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]N[5]S)(CN)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(C[5]N[5]N)(CH3){1|S<2>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]N[5]S)(CN){1|N<3>,2|C<3>}	110.8948	0.418	4	110.8948	0.175	4	110.8948	0.175	4	109.5588	8.031	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	112.4320	0.000	1	108.7821	11.874	8	108.7821	11.874	8	109.5588	8.031	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[6a]C[5]N[5])(H)3	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(NH){1|C<4>,1|O<1>,2|C<3>}	108.2607	3.364	7	108.7821	11.874	8	108.7821	11.874	8	109.5588	8.031	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3)	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5])(CH3){1|N<3>,3|H<1>,6|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(H)3	C[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]C[5])(N[5]C[5,6a]H){1|N<3>,1|O<1>,6|C<3>}	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	110.3857	1.821	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2)	C[5](C[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]H)(CH3){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	110.6290	0.000	1	110.6290	0.000	1	110.6290	0.000	1	110.3857	1.821	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	110.3857	1.821	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	B[5,5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	C(C[5]B[5,5]C[6a]C[5])(H)3	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3)	C[5](B[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>,4|C<4>}	C(C[5]B[5,5]C[6a]C[5])(H)3	C[5](C[5]B[5,5]C[6a]C)(C[5]C[5,5]C)(CH3){1|O<2>,2|C<3>,2|C<4>}	111.6730	0.000	1	111.6730	0.000	1	111.6730	0.000	1	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:As-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(AsWW)(CH3)	C(C[5]C[5]2As)(H)3	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(AsWW)(CH3){2|C<4>}	C(C[5]C[5]2As)(H)3	C[5](C[5]C[5]AsC)(C[5]C[5]C)(CH3){2|C<4>}	114.3847	0.756	4	114.3847	0.572	4	114.3847	0.572	4	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(BC[5]C)(CH3)	C(C[5]C[5]2B)(H)3	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(BC[5]C)(CH3){2|C<4>}	C(C[5]C[5]2B)(H)3	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	110.9640	1.971	8	110.9640	3.884	8	111.0187	2.829	12	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:B-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3)	C(C[5]C[5]2B)(H)3	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(BC[5]Cl)(CH3){2|C<4>}	C(C[5]C[5]2B)(H)3	C[5](C[5]C[5]BC)(C[5]C[5]C)(CH3){2|C<4>}	111.1280	1.134	4	111.1280	1.285	4	111.0187	2.829	12	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CC[6a]C)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CC[6a]C)(CH3){2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	108.7720	0.939	2	108.7720	0.882	2	109.7228	1.515	4	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CPtO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CPtO)(CH3){2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	110.6735	0.218	2	110.6735	0.048	2	109.7228	1.515	4	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaC[5]C)(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5]C)(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	121.5162	3.513	4	121.5162	12.342	4	117.4721	16.698	12	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaC[5]Cl)(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	113.8910	3.076	4	113.8910	9.462	4	117.4721	16.698	12	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Ga-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaRu2)(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu2)(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	117.0090	0.480	4	117.0090	0.230	4	117.4721	16.698	12	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]N[5]O)(NC[6a]H)(CH3){1|C<3>,1|C<4>}	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(C[5]N[5]C)(CH3){1|C<3>,1|O<1>}	110.3840	0.000	1	110.3840	0.000	1	109.1813	1.098	3	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(NLaN)(CH3)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(NLaN)(CH3){2|C<4>}	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]C)(CH3){2|C<4>}	108.5800	0.161	2	108.5800	0.026	2	109.1813	1.098	3	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:O-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(OZn2)(CH3)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(OZn2)(CH3){2|C<4>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){2|C<4>}	110.1967	0.648	4	110.1967	0.420	4	110.1967	0.420	4	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:P[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3)	C(C[5]C[5]2P[5])(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(P[5]C[5]2)(CH3){2|C<4>,4|C<3>}	C(C[5]C[5]2P[5])(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	111.7605	0.047	2	111.7605	0.002	2	112.5787	0.931	4	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:P[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3)	C(C[5]C[5]2P[5])(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(P[5]N[5]2)(CH3){2|C<4>,4|C<3>}	C(C[5]C[5]2P[5])(H)3	C[5](C[5]C[5]P[5]C)(C[5]C[5]C)(CH3){2|C<4>,2|N<3>}	113.3970	0.337	2	113.3970	0.113	2	112.5787	0.931	4	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Si-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3)	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiC[5]Si)(CH3){2|C<4>}	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	115.3520	0.359	2	115.3520	0.129	2	114.0048	1.369	6	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Si-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(SiSiN)(CH3)	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(SiSiN)(CH3){2|C<4>}	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	113.3312	0.651	4	113.3312	0.423	4	114.0048	1.369	6	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|N<3>,1|S<1>,2|C<3>}	109.2390	0.000	1	109.2390	0.000	1	109.2390	0.000	1	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	Ga[3]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3)	C(C[5]Ga[3]C[5]2)(H)3	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[3]C[3,5]2)(C[5]C[5]C)2(CH3){2|C<3>,4|C<4>}	C(C[5]Ga[3]C[5]2)(H)3	C[5](C[5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){4|C<4>}	114.5040	0.503	2	114.5040	0.253	2	114.5040	0.253	2	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:3:4:	P[5,5]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3)	C(C[5]P[5,5]C[5]2)(H)3	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3)	C[5](P[5,5]P[3,5,5]C[4x5])(C[5]C[5]C)2(CH3){1|Mo<6>,1|H<1>,6|C<4>}	C(C[5]P[5,5]C[5]2)(H)3	C[5](C[5]P[5,5]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,3|C<4>}	111.8735	0.507	2	111.8735	0.257	2	111.8735	0.257	2	112.9938	12.543	55	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:4:1:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]O)(CH3){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O){1|C<4>,3|C<3>}	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	110.2310	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:1:1:1:	4:4:3:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:P[5]-4:C-3:	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(P[5]C[5]CS)(CC[6a]H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]C)(C[5]P[5]C)(CH3){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(P[5]C[5]CS)(CC[6a]H){1|C<4>,1|N<3>,2|C<3>}	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	110.1590	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	106.2125	0.337	4	106.2125	0.113	4	106.6898	1.224	5	106.9965	1.544	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C[6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C[6a])(O){6|C<3>}	108.5990	0.000	1	108.5990	0.000	1	106.6898	1.224	5	106.9965	1.544	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:2:1:1:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO)	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO){2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]N[5])(OC)(H)2	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O){1|C<4>,3|C<3>}	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	106.9965	1.544	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	3:4:1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]N[5])(CC[5a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(CC[5a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){2|H<1>,4|C<3>}	106.2450	0.000	1	106.2450	0.000	1	106.3455	0.020	2	107.3613	3.106	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	3:4:1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){2|H<1>,4|C<3>}	106.4460	0.000	1	106.4460	0.000	1	106.3455	0.020	2	107.3613	3.106	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	3:4:1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN)	C(C[5]C[6a]C[5]N[5])(NOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CHHN){1|Br<1>,1|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(NOO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){2|H<1>,4|C<3>}	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	107.3613	3.106	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	3:4:2:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:N-2:	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]N[5])(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a])	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(NC[6a]){2|H<1>,4|C<3>}	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	110.7660	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C[6]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH)	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(C[6]C[6]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6]C)(O[5]C[5,6a])(O){4|C<3>}	106.9670	0.753	3	106.9670	0.567	3	106.9670	0.567	3	106.9670	0.567	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:2:4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|O<1>,3|C<3>}	110.2950	0.000	1	110.2950	0.000	1	112.1885	7.171	2	112.1885	7.171	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:2:4:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5a]C[5]C)(N[5]N[5])(CH3){1|N<2>,1|O<1>,2|C<3>}	114.0820	0.000	1	114.0820	0.000	1	112.1885	7.171	2	112.1885	7.171	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	104.6450	0.000	1	104.6450	0.000	1	104.6450	0.000	1	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5a]C[5])(CCC)(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(CCC)(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){4|C<3>}	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[5a]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(C[5a]C[5a]O[5a])(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	109.7490	0.000	1	109.7490	0.000	1	109.7490	0.000	1	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){4|C<3>}	108.6855	0.267	2	108.6855	0.071	2	108.3533	0.367	3	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]HH){4|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]H)(O){1|N<3>,3|C<3>}	107.6890	0.000	1	107.6890	0.000	1	108.3533	0.367	3	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN)	C(C[5]C[5,6a]C[5a]C[5])(NHS)(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CHHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(NHS)(H)2	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	108.8985	0.415	2	108.8985	0.172	2	108.8985	0.172	2	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,2|O<2>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	103.3500	0.000	1	106.6845	22.238	2	109.2018	11.304	5	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	110.0190	0.000	1	106.6845	22.238	2	109.2018	11.304	5	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CC[5]C)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CC[5]C)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.8000	0.000	1	111.8000	0.000	1	109.2018	11.304	5	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){4|C<3>,4|H<1>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	110.4200	0.765	2	110.4200	0.585	2	109.2018	11.304	5	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]C[6a])(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	107.8420	0.000	1	107.8420	0.000	1	107.2858	2.403	4	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	105.7330	0.000	1	107.1003	3.399	3	107.2858	2.403	4	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	107.7840	1.998	2	107.1003	3.399	3	107.2858	2.403	4	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN)	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CHHN){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(NC[6a]H)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	108.9340	0.000	1	108.9340	0.000	1	108.9340	0.000	1	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	C[5]-4:C-3:F-1:F-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF)	C(C[5]C[5,6a]C[5]N[5])(COO)(F)2	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF){1|C<4>,3|C<3>,5|H<1>}	C(C[5]C[5,6a]C[5]N[5])(COO)(F)2	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]H)(O){1|C<4>,1|N<3>,2|C<3>}	110.7980	0.000	1	110.7980	0.000	1	110.7980	0.000	1	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,3|C<3>}	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O){1|C<4>,4|C<3>}	106.0520	0.000	1	106.0520	0.000	1	108.5855	12.837	2	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[5a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O)	C[5](C[5a]C[5a]N[5a])(C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5a]C[5]C)(N[5]C[6a]N[5])(O){1|C<4>,1|N<2>,3|C<3>}	111.1190	0.000	1	111.1190	0.000	1	108.5855	12.837	2	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH)	C(C[5]C[6a]C[5]2)(COO)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]2)(COO)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]H)(H){1|O<1>,3|C<3>}	112.8350	0.000	1	112.8350	0.000	1	112.8350	0.000	1	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:1:	C[6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH)	C(C[5]C[6a]C[5]2)(COO)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]2)(COO)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(O){2|C<3>,2|H<1>}	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	108.8136	5.624	23	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]HH){2|H<1>,7|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,6|C<3>}	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[6a]C[6a]2)(CC[6a]HH){1|Si<4>,3|H<1>,6|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]Si)(C[6a]C[6a]2){2|H<1>,6|C<3>}	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	111.6955	2.241	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(CC[6a]C)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]C[5]C)(CC[6a]HH){1|C<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]C)(CC[6a]C){4|C<3>}	112.7540	0.000	1	112.7540	0.000	1	112.7540	0.000	1	111.6955	2.241	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:1:1:	4:4:2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(NS)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(NS){1|C<4>,2|C<3>,2|H<1>}	111.8630	0.000	1	111.8630	0.000	1	111.8630	0.000	1	111.8630	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:2:1:	3:4:1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){1|C<4>,1|H<1>,4|C<3>}	110.1400	0.000	1	110.1400	0.000	1	110.2155	0.011	2	110.2155	0.011	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:2:1:	3:4:1:	C[5]-3:N[5]-3:C[6a]-3:C-4:	C[5]-4:C[6a]-3:C-2:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]C)(O){2|H<1>,4|C<3>}	110.2910	0.000	1	110.2910	0.000	1	110.2155	0.011	2	110.2155	0.011	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO)	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	104.5800	0.000	1	104.5800	0.000	1	104.5800	0.000	1	105.9433	1.462	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCH)(OC)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	106.8860	0.000	1	106.8860	0.000	1	106.6250	0.136	2	105.9433	1.462	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHO){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]O)(ON[6])(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	106.3640	0.000	1	106.3640	0.000	1	106.6250	0.136	2	105.9433	1.462	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]CH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O){4|C<3>}	107.0275	0.767	2	107.0275	0.589	2	107.0275	0.589	2	107.5945	0.630	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:2:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5]H)(CC[6a]HN)	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]C[6a]N[5]C)(S[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]S[5]O)(N[5]C[5]H)(CC[6a]HN){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]C[6a]N[5]C)(S[5]C[5])(O){1|H<1>,1|O<1>,2|C<3>}	108.1615	0.125	2	108.1615	0.016	2	108.1615	0.016	2	107.5945	0.630	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:N[6]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH)	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH){2|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){4|C<3>}	110.6370	0.000	1	110.6370	0.000	1	110.6370	0.000	1	106.9803	2.987	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(C[5]N[5]O)(CC[6a]CH){1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){1|S<2>,3|C<3>}	106.5810	0.000	1	106.5810	0.000	1	106.5810	0.000	1	106.9803	2.987	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:N-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN)	C(C[5]C[5,6a]C[5a]C[5])(NC[6a]H)(COO)(H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCHN){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(NC[6a]H)(COO)(H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	106.9803	2.987	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH){1|S<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]S)(O){4|C<3>}	106.6050	0.000	1	106.6050	0.000	1	106.6050	0.000	1	106.9803	2.987	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]2H){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)2(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	105.7305	0.414	2	105.7305	0.171	2	105.7305	0.171	2	106.9803	2.987	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]HN){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	105.3490	0.000	1	105.3490	0.000	1	105.3490	0.000	1	106.9803	2.987	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(COO)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(CC[6a]O)(COO)(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	106.9310	0.000	1	106.9310	0.000	1	107.9243	1.036	3	106.9803	2.987	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH)	C(C[5]C[6a]C[5]N[5])(CC[6a]O)2(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]N[5])(CC[6a]O)2(H)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>}	108.4210	0.769	2	108.4210	0.592	2	107.9243	1.036	3	106.9803	2.987	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:3:1:	4:3:3:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:N[6]-3:C-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH)	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(C[5]N[5]O)(CN[6]CH){2|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(N[6]C[6]2)(COO)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH)	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]2)(CC[6a]CH){2|C<4>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]N[5]C)(N[5]C[5,6a]C)(O){4|C<3>}	105.1800	0.000	1	105.1800	0.000	1	105.1800	0.000	1	109.7668	9.952	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:4:1:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){4|C<3>,4|H<1>}	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]H)(O){1|N<3>,3|C<3>}	112.6940	0.000	1	112.6940	0.000	1	110.2202	6.736	4	109.7668	9.952	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:4:1:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<2>,3|C<3>}	107.9955	0.535	2	109.3957	6.025	3	110.2202	6.736	4	109.7668	9.952	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:4:1:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH)	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]N[5a])(C[5]N[5]O)(CC[6a]CH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){1|N<3>,3|C<3>}	112.1960	0.000	1	109.3957	6.025	3	110.2202	6.736	4	109.7668	9.952	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:3:4:1:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH)	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CN[5]CH){1|Cl<1>,1|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(N[5]C[5]2)(CHHN)(H)	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	109.7668	9.952	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|H<1>,1|N<3>,4|C<3>}	C(C[5]C[5a]C[5]N[5])(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){2|H<1>,4|C<3>}	106.9670	0.000	1	106.9670	0.000	1	106.3880	0.670	2	106.3880	0.670	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	3:4:1:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH)	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5a]C[5]N[5])(CN[5]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(O){1|N<3>,2|H<1>,3|C<3>}	105.8090	0.000	1	105.8090	0.000	1	106.3880	0.670	2	106.3880	0.670	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	3:4:2:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:Si-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH)	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CSiHH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]N)(SiC3)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	110.2318	1.765	6	110.2318	3.115	6	110.2318	3.115	6	110.9559	6.265	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	3:4:2:	C[5a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N-2:	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH)	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC)	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]N)(N[5]C[5,6a]H)(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5a]C[5]N[5])(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(NC){1|N<3>,2|H<1>,3|C<3>}	115.3000	0.000	1	115.3000	0.000	1	115.3000	0.000	1	110.9559	6.265	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)(CCHH)	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]Zn)	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]Zn)(CCHH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]Zn){1|H<1>,3|C<3>}	108.2900	0.000	1	108.2900	0.000	1	108.2900	0.000	1	109.4203	1.564	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	3:4:3:	C[5]-3:C[5]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2)	C[5](C[5]C[5,6a]C[5])2(C[6a]C[6a]2)(CCHH){2|H<1>,8|C<3>}	C(C[5]C[6a]C[5]2)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(C[5]C[5,6a]2){1|H<1>,9|C<3>}	109.9855	1.101	2	109.9855	1.212	2	109.9855	1.212	2	109.4203	1.564	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:2:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH)	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH){3|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(CH3)(H)2	C[5](C[5]C[6a]N[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,3|C<3>}	106.3730	0.000	1	106.3730	0.000	1	106.3730	0.000	1	106.3730	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:2:2:	C[5,6a]-3:C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:O[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH)	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]2C)(N[5]C[5])(O[5]C[5])	C[5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O[5])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C(C[5]C[5,6a]2C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]2C)(N[5]C[5])(O[5]C[5]){2|C<4>,2|H<1>,4|C<3>}	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	110.0290	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:2:3:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:N-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(NC[6a]H)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a])(NC[6a]H){2|C<3>}	109.3890	0.000	1	109.3890	0.000	1	109.3890	0.000	1	109.0270	0.262	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:2:3:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a])(CCO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]C)(CCHH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a])(CCO){4|C<3>}	108.6650	0.000	1	108.6650	0.000	1	108.6650	0.000	1	109.0270	0.262	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CCHH)	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CH3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	110.6853	3.813	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]S)(O){1|C<4>,1|N<2>,2|C<3>}	109.5330	0.000	1	109.5330	0.000	1	109.5330	0.000	1	110.6853	3.813	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CHPP)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	113.5420	0.000	1	113.5420	0.000	1	110.8425	14.575	2	110.6853	3.813	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCHH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CN[5]CH)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	108.1430	0.000	1	108.1430	0.000	1	110.8425	14.575	2	110.6853	3.813	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH)	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC[5]HH){3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[5]C[5]O[5]H)(H)2	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	108.9920	0.863	2	108.9920	0.744	2	108.9920	0.744	2	110.6853	3.813	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:N[5a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5a]C[5a]2)(C[5]N[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]N[5a]C[5])(CCHH)(H)2	C[5](C[5]C[5,6a]N[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	108.1320	0.000	1	108.1320	0.000	1	108.1320	0.000	1	110.6853	3.813	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>}	111.3423	1.551	8	111.3423	2.407	8	111.5584	2.527	9	110.6853	3.813	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:1:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]N[5])(CCHH)(H)2	C[5](C[5]C[6a]N[5]C)(C[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|C<3>}	113.2880	0.000	1	113.2880	0.000	1	111.5584	2.527	9	110.6853	3.813	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]Ru)(CHH)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH){1|Ru<8>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]Ru)(CHH){1|H<1>,3|C<3>}	111.4070	0.000	1	111.4070	0.000	1	111.4070	0.000	1	111.1850	0.099	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:3:	C[5]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(CCHH){1|Ru<8>,3|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]H){1|Ru<8>,2|H<1>,5|C<3>}	110.9630	0.000	1	110.9630	0.000	1	110.9630	0.000	1	111.1850	0.099	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){1|H<1>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|O<1>}	113.8090	0.000	1	113.8415	0.002	2	113.8415	0.002	2	113.8415	0.002	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){3|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<1>,2|C<4>}	113.8740	0.000	1	113.8415	0.002	2	113.8415	0.002	2	113.8415	0.002	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){1|H<1>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<4>}	109.0400	0.000	1	109.0400	0.000	1	110.4895	4.202	2	110.4895	4.202	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[6a]O)(CCHH){3|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)2(O){2|C<4>}	111.9390	0.000	1	111.9390	0.000	1	110.4895	4.202	2	110.4895	4.202	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(C[5]N[5]O)(CCHH){1|Cl<1>,1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(CHHN)(H)2	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a]){1|N<3>,1|O<1>,4|C<3>}	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	109.3870	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:2:1:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-2:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CHHN)(CC)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a])(O){4|C<3>}	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	107.5540	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:3:1:	4:2:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]O[5]O)(CCCH){3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5](C[5]C[5,6a]C[6a]C)(O[5]C[5,6a])(O){4|C<3>}	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	107.6480	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH)	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NC[6a]H)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CHHN)(COO)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	105.9870	0.000	1	105.9870	0.000	1	105.9870	0.000	1	107.7870	7.152	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a,6a]C[5a])(C[5]N[5]O)(CCCH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	C[5](C[5]C[5,6a]C[5a]C)(N[5]C[5,6a]C)(O){4|C<3>}	110.6000	0.105	2	110.6000	0.011	2	110.6000	0.011	2	107.7870	7.152	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5]O)(CCCH){1|Br<1>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(COO)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){1|N<2>,3|C<3>}	105.8740	1.488	2	105.8740	2.213	2	105.8740	2.213	2	107.7870	7.152	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH)	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CCCH){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CCHH)(CF3)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	111.7780	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:4:3:	4:3:1:	C[5,6a]-3:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3)	C(C[5]C[5,6a]C[6a]C[5])(CH3)2(CCH)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(C[5]N[5]O)(CC3){1|O<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(CH3)2(CCH)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]H)(O){4|C<3>}	106.1490	0.030	2	106.1490	0.001	2	106.1490	0.001	2	106.1490	0.001	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:4:4:	3:4:2:	C[5,6a]-3:C[5]-3:N-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-4:N-2:	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3)	C(C[5]C[5,6a]C[5]N)(CH3)3	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]N)(NC[6a]H)(CC3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)3	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]CN)(NC[6a]){1|H<1>,3|C<3>}	109.9760	0.221	2	109.9760	0.049	2	109.9760	0.049	2	109.9760	0.049	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:4:4:	4:3:1:	B[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](B[5]N[5]N)(C[5]C[5]H)(C[5]N[5]2)(CC3)	C(C[5]B[5]C[5]2)(CH3)3	C[5](C[5]B[5]C[5]C)(C[5]N[5]C)(H)	C[5](B[5]N[5]N)(C[5]C[5]H)(C[5]N[5]2)(CC3){3|C<3>,3|C<4>}	C(C[5]B[5]C[5]2)(CH3)3	C[5](C[5]B[5]C[5]C)(C[5]N[5]C)(H){1|C<3>,1|N<2>,2|N<3>}	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	109.3590	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:3:4:	4:4:4:4:	4:3:3:	B[5]-3:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:N[5]-3:N[5]-3:	C[5](B[5]N[5]N)(C[5]C[5]H)(C[5]N[5]2)(CC3)	C(C[5]B[5]C[5]2)(CH3)3	C[5](C[5]B[5]C[5]C)(N[5]C[5]C)2	C[5](B[5]N[5]N)(C[5]C[5]H)(C[5]N[5]2)(CC3){3|C<3>,3|C<4>}	C(C[5]B[5]C[5]2)(CH3)3	C[5](C[5]B[5]C[5]C)(N[5]C[5]C)2{1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	111.9880	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:3:4:4:	4:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-3:C[5]-3:C[5]-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CC[5]2C)(H)	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CC[5]2C)(H){2|C<4>}	C(C[5]N[5]O[5])2(C[5]C[5]2H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	113.7510	1.448	2	113.7510	2.097	2	113.7510	2.097	2	113.7510	2.097	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]HH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,1|S<1>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]N[5]H)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|S<1>}	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	112.2820	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]H)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	113.4990	13.097	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H)	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]2H)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6a,6a]N[6a])(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	113.4990	13.097	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,3|C<3>}	111.6720	0.000	1	111.6720	0.000	1	111.6720	0.000	1	111.6720	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:1:	3:4:2:	C[5]-3:C[5]-3:C-4:F-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F)	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CF)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	113.0850	0.000	1	113.0850	0.000	1	113.0850	0.000	1	113.0850	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:1:	4:2:1:	C[5]-3:C[5]-3:C-4:F-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F)	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	C[5](C[5]C[5]CF)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CC[6a]CH)(F){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2F)(CHHN)(H)	C[5](C[5]C[5]CF)(O[5]N[5])(O){1|C<3>}	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	113.4410	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	112.8720	0.000	1	112.8720	0.000	1	112.4847	0.511	3	112.4847	0.511	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:1:	4:3:1:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,1|O<1>}	112.2910	0.892	2	112.2910	0.796	2	112.4847	0.511	3	112.4847	0.511	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	116.2960	0.000	1	116.2960	0.000	1	113.0290	5.882	4	113.0290	5.882	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	112.9490	0.000	1	112.9490	0.000	1	113.0290	5.882	4	113.0290	5.882	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:1:	4:3:3:	C[5]-3:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]CH)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]H){1|C<3>,1|O<1>}	111.4355	1.374	2	111.4355	1.888	2	113.0290	5.882	4	113.0290	5.882	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:4:	4:3:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H){1|C<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<2>,1|C<3>,1|O<1>}	117.6585	0.059	2	117.6585	0.003	2	117.6585	0.003	2	116.9506	2.638	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:4:	4:3:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](N[5]C[5]Al)(C[5]C[5]H)(CC[5a]CC)(H){1|C<4>,1|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5]H)(CH3)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|Al<5>,1|C<4>}	116.4787	2.107	3	116.4787	4.438	3	116.4787	4.438	3	116.9506	2.638	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	3:4:4:4:	4:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:C-4:C-4:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5]H)(C[5]C[5]O)(CC[5a]CC)(H){1|C<2>,2|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5]2H)(CH3)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	108.3290	0.117	2	108.3290	0.014	2	108.3290	0.014	2	108.3290	0.014	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-3:C[5]-4:Br-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H)	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(Br)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Br)(CF3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(F)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(Br){4|C<3>}	112.8190	0.000	1	112.8190	0.000	1	112.8190	0.000	1	112.9280	1.979	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	114.2690	0.000	1	114.2690	0.000	1	114.2690	0.000	1	112.9280	1.979	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H)	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(C[5]N[5,5]C[5]H)(H)3	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	114.2290	0.000	1	114.2290	0.000	1	114.2290	0.000	1	112.9280	1.979	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]H)(H)3	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O){1|C<4>,1|H<1>,3|C<3>}	112.1240	2.059	2	112.1240	4.240	2	112.1240	4.240	2	112.9280	1.979	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:1:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H)	C(C[5]N[5,6a]C[5]H)(H)3	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>}	C(C[5]N[5,6a]C[5]H)(H)3	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O){1|N<2>,3|C<3>}	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	112.9280	1.979	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O)	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	113.5630	0.000	1	113.5630	0.000	1	113.5630	0.000	1	112.9280	1.979	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H)	C(C[5]C[5]N[5]H)(Cl)3	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]N[5])	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H){3|C<3>}	C(C[5]C[5]N[5]H)(Cl)3	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]N[5]){1|C<4>,2|H<1>,3|C<3>}	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CH3)(H){4|C<3>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]C){1|S<4>,2|H<1>,3|C<3>}	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CH3){4|C<3>}	114.8320	0.000	1	114.8320	0.000	1	114.8320	0.000	1	112.5652	12.869	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3){1|C<4>,1|O<1>,3|C<3>}	116.4080	0.000	1	116.4080	0.000	1	116.4080	0.000	1	112.5652	12.869	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	3:4:4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]CH)(CH3)	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]C)(CH3)(H){2|O<2>,3|C<3>}	C(C[5]C[5]N[5]H)(H)3	C[5](N[5]B[5,5a]C[6a])(C[5]N[5]CH)(CH3){2|O<2>,3|C<3>}	109.5105	0.194	2	109.5105	0.038	2	109.5105	0.038	2	112.5652	12.869	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:2:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H){1|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>}	115.6520	0.000	1	115.6520	0.000	1	113.8585	6.433	2	112.3506	2.394	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:2:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,2|C<4>}	112.0650	0.000	1	112.0650	0.000	1	113.8585	6.433	2	112.3506	2.394	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|H<1>,2|C<3>}	112.4910	0.000	1	111.5422	0.465	4	111.5422	0.465	4	112.3506	2.394	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	110.8670	0.000	1	111.5422	0.465	4	111.5422	0.465	4	112.3506	2.394	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){2|C<4>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>,2|C<4>}	111.3850	0.000	1	111.5422	0.465	4	111.5422	0.465	4	112.3506	2.394	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){2|H<1>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>,2|H<1>}	111.4260	0.000	1	111.5422	0.465	4	111.5422	0.465	4	112.3506	2.394	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:2:1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(O)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H){1|O<1>,3|C<4>}	C(C[5]N[5,6]C[5]H)(H)3	C[5](C[5]N[5,6]CH)(O[5]C[5,6])(O){1|C<3>,2|C<4>}	113.3930	0.000	1	113.3930	0.000	1	113.3930	0.000	1	112.3506	2.394	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:2:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CH3)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|N<3>,1|O<2>,2|H<1>}	111.5260	0.000	1	111.5260	0.000	1	111.5260	0.000	1	112.3506	2.394	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	108.5330	0.000	1	108.5330	0.000	1	108.5330	0.000	1	111.1995	3.338	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H)	C(C[5]C[5]N[5]H)(Br)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]S)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H){1|C<3>,1|H<1>,1|S<3>}	C(C[5]C[5]N[5]H)(Br)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]S)(H){1|C<3>,1|H<1>,1|S<4>}	112.4510	0.648	2	112.4510	0.420	2	112.4510	0.420	2	111.1995	3.338	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	108.7700	0.747	2	108.7700	0.558	2	110.7336	3.797	5	111.1995	3.338	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|C<3>,1|S<1>}	110.9560	0.000	1	110.9560	0.000	1	110.7336	3.797	5	111.1995	3.338	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	112.5860	0.093	2	112.5860	0.009	2	110.7336	3.797	5	111.1995	3.338	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	C[5](C[5]N[5,6]CH)(N[5]C[5,6]H)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	C(C[5]N[5,6]C[5]H)(H)3	C[5](C[5]N[5,6]CH)(N[5]C[5,6]H)(O){3|C<3>}	112.4510	0.000	1	112.4510	0.000	1	112.4460	0.000	2	111.1995	3.338	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H)	C(C[5]N[5,6]C[5]H)(H)3	C[5](C[5]N[5,6]CH)(N[5]C[5,6]O)(O)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>}	C(C[5]N[5,6]C[5]H)(H)3	C[5](C[5]N[5,6]CH)(N[5]C[5,6]O)(O){1|C<3>,1|H<1>,1|S<4>}	112.4410	0.000	1	112.4410	0.000	1	112.4460	0.000	2	111.1995	3.338	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CCH){2|C<3>}	112.8440	0.000	1	112.8440	0.000	1	112.8440	0.000	1	113.4566	0.710	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CSiC)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CSiC){1|C<4>,1|O<1>}	112.8310	0.000	1	112.8310	0.000	1	112.8310	0.000	1	113.4566	0.710	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(CC[6a]C)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(CC[6a]C){2|C<4>}	113.1810	0.000	1	113.1810	0.000	1	113.1810	0.000	1	113.4566	0.710	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(N[5]C[5]H)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(NCH)	C[5](C[5]C[5]N)(N[5]C[5]H)(CH3)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]H)(NCH){1|H<1>,1|O<1>}	114.2135	0.923	2	114.2135	0.852	2	114.2135	0.852	2	113.4566	0.710	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|C<3>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]C)(CH3){2|C<3>}	111.3330	0.000	1	111.3330	0.000	1	111.4952	0.180	5	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]C)(CH3)(H){1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|C<3>,2|C<4>}	111.5358	0.478	4	111.5358	0.228	4	111.4952	0.180	5	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(CH3){2|C<3>}	113.5025	0.046	2	113.5025	0.002	2	113.5025	0.002	2	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:S-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H)	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(H)3	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]C)(SC[6a]OO){2|C<3>}	114.8530	0.000	1	114.8530	0.000	1	114.8530	0.000	1	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|P<4>}	112.6410	0.000	1	112.6410	0.000	1	115.9260	10.089	4	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO)	C[5](C[5]C[5]C)(C[5]O[5]O)(CH3)(H){1|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]C)(CC[5]HO){1|O<1>}	119.6040	0.000	1	119.6040	0.000	1	115.9260	10.089	4	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C)	C[5](C[5]C[5]C)2(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]2C){2|C<4>}	117.4430	0.000	1	117.4430	0.000	1	115.9260	10.089	4	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){2|C<4>}	114.0160	0.000	1	114.0160	0.000	1	115.9260	10.089	4	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:P-4:	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N)	C[5](C[5]C[5]C)(C[5]C[5]P)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(PC[6a]2N){2|C<4>}	116.6470	0.000	1	116.6470	0.000	1	116.6470	0.000	1	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH)	C[5](C[5]C[5]C)(N[5]N[5]C)(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(C[5]N[5]C)(CCHH){2|C<3>}	113.5630	0.000	1	113.5630	0.000	1	113.5630	0.000	1	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:3:4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)	C[5](N[5]N[5a]C[5])(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3){1|C<4>,1|N<3>}	118.6080	0.000	1	118.6080	0.000	1	118.6080	0.000	1	114.1237	7.616	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	115.1170	0.000	1	115.1170	0.000	1	115.1170	0.000	1	114.0390	2.324	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CH)(O){1|C<4>,3|C<3>}	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	114.0390	2.324	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:1:1:1:	4:4:3:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-4:C-3:	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H)	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CCH)	C[5](N[5]C[6a]O[5])(C[5]C[5]C)(CF3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]N[5]H)(F)3	C[5](C[5]N[5]CH)(C[5]O[5]CH)(CCH){1|C<3>}	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	112.9640	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:2:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]H)(CHHS)(H)	C(C[5]C[5]N[5]H)(SC)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]H)(CHHS)(H){1|O<1>}	C(C[5]C[5]N[5]H)(SC)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|H<1>,1|O<1>}	112.6280	0.000	1	112.6280	0.000	1	112.6280	0.000	1	113.7505	2.520	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:2:1:1:	4:2:1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHHS)(H)	C(C[5]N[5,5]C[5]H)(SC[6])(H)2	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(O)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHHS)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]N[5,5]C[5]H)(SC[6])(H)2	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(O){1|C<3>,2|C<4>}	114.8730	0.000	1	114.8730	0.000	1	114.8730	0.000	1	113.7505	2.520	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:2:1:1:	4:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CHHO)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|H<1>,1|O<1>}	111.3953	0.966	3	111.3953	0.934	3	111.3953	0.934	3	110.6920	2.601	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:2:1:1:	4:4:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CHHO)(H){1|C<4>,1|O<1>,3|C<3>}	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|C<3>,1|O<1>}	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	110.6920	2.601	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl)	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]ClC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl){3|C<3>}	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]ClC)(O){3|C<3>}	110.4750	0.000	1	110.4750	0.000	1	110.4750	0.000	1	111.8776	3.899	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5]2H)(CNO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,1|N<3>}	C(C[5]C[5]2H)(CNO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	110.0800	0.000	1	110.0800	0.000	1	110.0800	0.000	1	111.8776	3.899	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](N[5]C[4]C[5])(C[5]N[5]CH)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CNO)(H)2	C[5](N[5]C[4]C[5])(C[5]N[5]CH)(O){1|C<3>,1|O<1>,3|C<4>}	112.5240	0.000	1	112.5240	0.000	1	112.5240	0.000	1	111.8776	3.899	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	110.6800	2.649	3	111.1130	5.428	4	111.1130	5.428	4	111.8776	3.899	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[5]N[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	112.4120	0.000	1	111.1130	5.428	4	111.1130	5.428	4	111.8776	3.899	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O){1|C<4>,1|H<1>,3|C<3>}	114.0790	0.000	1	114.0790	0.000	1	114.0790	0.000	1	111.8776	3.899	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:1:	N[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]N[5,6a]C[5]H)(COO)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|N<2>,1|O<1>,2|C<3>}	C(C[5]N[5,6a]C[5]H)(COO)(H)2	C[5](N[5]C[5,6a]C[6a])(C[5]N[5,6a]CH)(O){1|N<2>,3|C<3>}	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	111.8776	3.899	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:1:	S[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](S[5]C[5]Pd)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O)	C[5](S[5]C[5]Pd)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]S[5]CH)(O){1|Pd<4>,1|H<1>,3|C<3>}	113.8910	0.000	1	113.8910	0.000	1	113.8910	0.000	1	111.8776	3.899	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	113.8330	0.000	1	113.8330	0.000	1	113.8330	0.000	1	113.2762	6.650	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-3:	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5]2H)(CNO)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,1|N<3>}	C(C[5]C[5]2H)(CNO)(H)2	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]CH)(CC[6a]O){1|H<1>,1|O<1>,2|C<4>}	117.4120	0.000	1	117.4120	0.000	1	117.4120	0.000	1	113.2762	6.650	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<3>}	112.8130	0.000	1	112.8130	0.000	1	111.9290	1.563	2	113.2762	6.650	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])2(CCHH)(H){1|H<1>,1|O<2>,4|C<3>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]O){3|C<3>,3|H<1>}	111.0450	0.000	1	111.0450	0.000	1	111.9290	1.563	2	113.2762	6.650	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	3:4:3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O)	C[5](C[5]C[5,6a]C)(N[5]C[5,6a]S)(CCHH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CC[6a]O){1|H<1>,1|S<4>,2|C<3>}	111.2780	0.000	1	111.2780	0.000	1	111.2780	0.000	1	113.2762	6.650	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(O){2|C<3>}	113.5850	0.000	1	113.5850	0.000	1	113.5850	0.000	1	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	108.0520	0.000	2	108.0520	0.000	2	109.7328	4.051	4	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|H<1>,1|O<1>}	111.4135	0.924	2	111.4135	0.854	2	109.7328	4.051	4	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:H-1:	C[5](C[5]O[5]H)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(H)	C[5](C[5]O[5]H)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	113.8880	0.000	1	113.8880	0.000	1	113.8880	0.000	1	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	111.6040	0.000	1	111.4533	1.003	3	111.5036	0.507	5	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>,2|C<4>}	110.3850	0.000	1	111.4533	1.003	3	111.5036	0.507	5	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>,2|H<1>}	112.3710	0.000	1	111.4533	1.003	3	111.5036	0.507	5	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|H<1>,1|O<1>}	111.5790	0.061	2	111.5790	0.004	2	111.5036	0.507	5	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5]S[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(S[5]C[5])(O)	C[5](C[5]S[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(S[5]C[5])(O){1|H<1>,1|O<1>}	109.8385	0.006	2	109.8385	0.000	2	109.8385	0.000	2	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<2>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>}	112.4000	0.000	1	111.9269	3.828	13	111.9269	3.828	13	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|Cl<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|Cl<1>,1|H<1>,1|N<3>,1|O<2>}	111.1080	1.989	6	111.9269	3.828	13	111.9269	3.828	13	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|N<3>,1|O<2>,2|H<1>}	111.6145	1.318	4	111.9269	3.828	13	111.9269	3.828	13	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CC[6a]HH)(H){1|N<3>,2|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|H<1>,1|N<3>,2|O<2>}	114.7720	0.339	2	111.9269	3.828	13	111.9269	3.828	13	111.4865	3.622	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:2:3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCH)(H)2	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CCH)(H)2	C[5](C[5]C[5,6a]CH)(O[5]C[5,6a])(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	110.8450	0.660	2	110.8450	0.436	2	110.8450	0.436	2	110.8450	0.436	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Br-1:	C[5]-4:C-3:Br-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(Br)	C(C[5]C[5,6a]C[5]Br)(COO)(Br)(H)	C[5](C[5]C[5,6a]BrC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(Br){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]Br)(COO)(Br)(H)	C[5](C[5]C[5,6a]BrC)(N[5]C[5,6a]C)(O){2|C<3>}	109.0270	0.000	1	109.0270	0.000	1	109.0270	0.000	1	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	C(C[5]C[5,6a]C[5]F)(CCC)(H)2	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(CCC)(H)2	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	111.1070	0.000	1	111.1070	0.000	1	111.1070	0.000	1	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F)	C(C[5]C[5,6a]C[5]F)(C[5a]C[5a]S[5a])(H)2	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(F){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]F)(C[5a]C[5a]S[5a])(H)2	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]H)(O){2|C<3>}	112.6830	0.000	1	112.6830	0.000	1	112.6830	0.000	1	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCN)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CCN)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	111.7590	0.000	1	111.7590	0.000	1	111.2147	5.733	3	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CC[6a]C)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	108.5950	0.000	1	108.5950	0.000	1	111.2147	5.733	3	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(COO)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	113.2900	0.000	1	113.2900	0.000	1	111.2147	5.733	3	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5a]C[5a]S[5a])(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	112.8130	0.000	1	112.8130	0.000	1	112.8130	0.000	1	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	113.0010	0.000	1	113.0010	0.000	1	113.0010	0.000	1	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CC[6a]O)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	116.2220	0.000	1	116.2220	0.000	1	116.2220	0.000	1	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(COO)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	115.3030	0.000	1	115.3030	0.000	1	115.3030	0.000	1	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]2)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]2)(O){1|C<4>,1|O<1>,2|S<2>}	112.7760	0.000	1	112.7760	0.000	1	111.6693	1.064	3	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	111.1160	0.539	2	111.1160	0.290	2	111.6693	1.064	3	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,2|C<3>}	111.6460	1.075	2	111.0983	5.722	10	111.2066	4.632	15	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,2|H<1>}	112.8450	0.498	2	111.0983	5.722	10	111.2066	4.632	15	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	108.9843	3.801	3	111.0983	5.722	10	111.2066	4.632	15	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|O<2>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<2>}	111.6080	0.191	2	111.0983	5.722	10	111.2066	4.632	15	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){3|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,2|C<4>}	111.8320	0.000	1	111.0983	5.722	10	111.2066	4.632	15	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|C<3>,1|S<1>}	110.8000	0.000	1	110.8000	0.000	1	111.2066	4.632	15	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	110.0055	0.298	2	111.4287	6.121	3	111.2066	4.632	15	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|S<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	114.2750	0.000	1	111.4287	6.121	3	111.2066	4.632	15	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	112.0300	0.000	1	112.0300	0.000	1	111.2066	4.632	15	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){3|C<4>}	112.5820	0.000	1	112.5820	0.000	1	112.8060	0.098	3	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,1|S<1>,2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|S<1>}	112.9180	0.348	2	112.9180	0.121	2	112.8060	0.098	3	111.7847	4.376	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl)	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(Cl){3|C<3>}	C(C[5]C[5]2Cl)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	118.4680	0.000	1	118.4680	0.000	1	118.4680	0.000	1	115.3750	8.647	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC){1|C<4>,1|O<1>}	112.0310	0.000	1	112.0310	0.000	1	114.3440	6.593	3	115.3750	8.647	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(OH)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(OH){1|H<1>,1|O<1>}	115.5005	2.272	2	115.5005	5.162	2	114.3440	6.593	3	115.3750	8.647	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CCO)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CC[6a]H){2|C<3>}	110.8300	0.496	3	110.8300	0.246	3	110.8300	0.246	3	111.0250	0.346	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CC[5]HH)(H){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CCH){2|C<3>}	111.8680	0.000	1	111.8680	0.000	1	111.8680	0.000	1	111.0250	0.346	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(CHO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(CHO){2|C<3>}	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	111.0250	0.346	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]O)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|O<1>,1|O<2>}	113.5510	0.000	1	113.5510	0.000	1	113.5510	0.000	1	112.2153	1.362	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]CH)(O)	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]N[5]CH)(O){1|C<3>,1|S<4>,2|H<1>}	111.3910	0.000	1	111.3910	0.000	1	111.3910	0.000	1	112.2153	1.362	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:1:1:	4:4:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CCH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(H){1|C<3>,1|O<1>}	111.7040	0.000	1	111.7040	0.000	1	111.7040	0.000	1	112.2153	1.362	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	107.5363	0.191	3	107.5363	0.037	3	107.5363	0.037	3	109.4206	6.950	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:2:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NS)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	112.9880	0.000	1	112.9880	0.000	1	112.9880	0.000	1	109.4206	6.950	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:2:1:	4:3:1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H)	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]H)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CC[6a]HO)(H){2|C<3>,2|H<1>}	C(C[5]N[5,6]C[5]H)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]H)(O){2|C<3>}	111.5060	0.000	1	111.5060	0.000	1	111.5060	0.000	1	109.4206	6.950	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:2:1:	4:3:4:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(CC[6a]HO)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|O<1>}	113.4070	0.000	1	113.4070	0.000	1	113.4070	0.000	1	113.4070	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:2:1:	4:4:3:	N[5,6,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H)	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	C[5](C[5]C[5,3x6]HO)(C[5]N[5,6,6]CH)(CHO)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	C(C[5]N[5,6,6]C[5]H)(CCH)(OC)(H)	C[5](C[5]C[5,3x6]HO)(C[5]N[5,6,6]CH)(CHO){1|S<2>,2|C<3>}	108.1720	0.000	1	108.1720	0.000	1	108.1720	0.000	1	111.5277	5.460	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:2:1:	4:4:3:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO){1|O<2>,2|C<3>}	109.9565	0.289	2	112.0870	3.925	6	112.0870	3.925	6	111.5277	5.460	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:2:1:	4:4:3:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO){1|S<2>,2|C<3>}	112.0765	1.131	2	112.0870	3.925	6	112.0870	3.925	6	111.5277	5.460	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:2:1:	4:4:3:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[5]N[5,6]C[5]H)(CCH)(OH)(H)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]CH)(CHO){1|H<1>,2|C<3>}	114.2280	0.124	2	112.0870	3.925	6	112.0870	3.925	6	111.5277	5.460	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(Cl){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]C)(O){2|C<3>}	116.4320	0.000	1	116.4320	0.000	1	116.4320	0.000	1	111.8882	6.169	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	113.0030	0.000	1	113.0030	0.000	1	111.5912	3.820	5	111.8882	6.169	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	108.6880	0.000	1	108.6880	0.000	1	111.5912	3.820	5	111.8882	6.169	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	112.6280	1.539	2	112.0883	2.057	3	111.5912	3.820	5	111.8882	6.169	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F)	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(F){1|Cl<1>,1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	111.0090	0.000	1	112.0883	2.057	3	111.5912	3.820	5	111.8882	6.169	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(CCC)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CCC)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	110.0430	0.000	1	110.0430	0.000	1	110.0430	0.000	1	111.8882	6.169	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	108.2950	0.000	1	108.2950	0.000	1	108.2950	0.000	1	111.8882	6.169	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:3:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NC[6a]H)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	113.1260	0.000	1	113.1260	0.000	1	113.0780	0.005	2	111.8882	6.169	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:3:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]HN)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	113.0300	0.000	1	113.0300	0.000	1	113.0780	0.005	2	111.8882	6.169	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(COO)(OH)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	110.1485	0.723	2	110.1485	0.523	2	110.1485	0.523	2	110.1485	0.523	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:4:1:	3:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]CH)(H){2|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(O){1|H<1>,3|C<3>}	110.4890	0.000	1	110.4890	0.000	1	110.4890	0.000	1	110.4890	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O){2|C<3>}	109.6095	0.603	2	109.6095	0.364	2	107.6402	3.576	5	111.5840	14.547	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl)	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(Cl){1|Cl<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]Cl)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]ClC)(N[5]C[5,6a]H)(O){2|C<3>}	106.3273	0.712	3	106.3273	0.507	3	107.6402	3.576	5	111.5840	14.547	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	113.0060	0.000	1	113.0060	0.000	1	113.0060	0.000	1	111.5840	14.547	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CC[6a]O)(CCHH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	113.2535	0.899	2	113.2535	0.808	2	113.2535	0.808	2	111.5840	14.547	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	116.1540	0.006	2	116.1540	0.000	2	115.3235	1.200	4	111.5840	14.547	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC[5a]HH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	113.8440	0.000	1	113.8440	0.000	1	115.3235	1.200	4	111.5840	14.547	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:3:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CC[6a]CH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	115.1420	0.000	1	115.1420	0.000	1	115.3235	1.200	4	111.5840	14.547	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	116.7860	0.000	1	116.7860	0.000	1	116.7860	0.000	1	116.7860	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	3:4:1:	N[5,5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H)	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	C[5](N[5]C[3x5,6]C[6a])(C[5]N[5,5,6]CH)(O)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	C(C[5]N[5,5,6]C[5]H)(CCCH)(H)2	C[5](N[5]C[3x5,6]C[6a])(C[5]N[5,5,6]CH)(O){1|C<4>,1|S<2>,3|C<3>}	111.2330	0.000	1	111.2330	0.000	1	111.2330	0.000	1	112.0407	1.587	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	3:4:1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	113.4920	0.000	1	112.4445	2.195	2	112.4445	2.195	2	112.0407	1.587	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	3:4:1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]N[5,5]C[5]H)(CCHH)(H)2	C[5](N[5,6]C[5,5,6]C[6,6a])(C[5]N[5,5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	111.3970	0.000	1	112.4445	2.195	2	112.4445	2.195	2	112.0407	1.587	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	3:4:3:	C[5,5a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:C[6a]-3:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H)	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[6a]C[5])(CCHH)(H){1|S<4>,5|C<3>}	C(C[5]C[5,5a]C[5]H)(CH3)(H)2	C[5](C[5]C[5,5a]C[6a])(C[5]C[5,5a]CH)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	112.0530	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CHHS)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CHHS)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<4>,1|O<1>}	115.5190	0.000	1	112.0371	3.184	9	112.0947	2.567	11	112.0050	2.566	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CHHS)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CHHS)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>,2|C<4>}	111.6019	1.300	8	112.0371	3.184	9	112.0947	2.567	11	112.0050	2.566	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|H<1>,1|O<1>}	112.2130	0.000	1	112.2130	0.000	1	112.0947	2.567	11	112.0050	2.566	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|H<1>,1|O<1>}	112.4950	0.000	1	112.4950	0.000	1	112.0947	2.567	11	112.0050	2.566	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5]S[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(S[5]C[5])(O)	C[5](C[5]S[5]O)(N[5]C[5]H)(CCHH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(S[5]C[5])(O){1|H<1>,1|O<1>}	111.5115	2.131	2	111.5115	4.539	2	111.5115	4.539	2	112.0050	2.566	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F)	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(F){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]F)(CHSS)(H)2	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	113.9840	0.000	1	113.9840	0.000	1	113.9840	0.000	1	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CHHN)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	109.6500	0.000	1	109.6500	0.000	1	109.6500	0.000	1	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(H)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]H)(O){2|C<3>}	113.3895	0.009	2	113.3895	0.000	2	113.3895	0.000	2	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|S<4>,2|H<1>}	113.0070	0.000	1	113.0070	0.000	1	114.3166	1.585	5	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	114.6440	1.183	4	114.6440	1.399	4	114.3166	1.585	5	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCO)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(CCCO)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|C<3>,1|S<1>}	111.9760	0.165	2	111.9760	0.027	2	111.3643	1.297	6	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<4>,1|N<2>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|N<2>}	109.6560	0.000	1	109.6560	0.000	1	111.3643	1.297	6	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]N)(O){1|C<3>,2|H<1>}	110.6420	0.000	1	110.6420	0.000	1	111.3643	1.297	6	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	111.9680	1.240	2	111.9680	1.538	2	111.3643	1.297	6	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5]C[5]Br)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]Br)(O)	C[5](N[5]C[5]Br)(C[5]N[5]O)(CCHH)(H){1|Br<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]Br)(O){1|Br<1>,1|O<1>}	113.6330	0.000	1	113.6330	0.000	1	113.6330	0.000	1	112.7112	3.097	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F)	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(CHHN)(H)2	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(NS){2|C<3>}	114.9610	0.000	1	114.9610	0.000	1	114.9610	0.000	1	112.3073	9.941	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC){1|C<3>,1|O<1>}	108.8220	0.000	1	110.9805	9.318	2	110.9805	9.318	2	112.3073	9.941	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(OC){1|C<4>,1|O<1>}	113.1390	0.000	1	110.9805	9.318	2	110.9805	9.318	2	112.3073	9.941	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]Si)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(SiC3){2|C<3>}	114.6550	0.000	1	114.6550	0.000	1	114.6550	0.000	1	114.0555	0.719	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	113.4560	0.000	1	113.4560	0.000	1	113.4560	0.000	1	114.0555	0.719	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<4>}	113.8780	0.000	1	113.8780	0.000	1	112.1845	5.736	2	112.5124	3.143	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>}	110.4910	0.000	1	110.4910	0.000	1	112.1845	5.736	2	112.5124	3.143	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CH)(O)	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5,5]C[5]2O[5])(C[5]N[5]CH)(O){1|C<3>,1|O<1>,3|C<4>}	113.4090	0.000	1	113.4090	0.000	1	113.4090	0.000	1	112.5124	3.143	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|C<4>,1|O<1>}	114.0930	0.000	1	114.0930	0.000	1	112.3920	5.787	2	112.5124	3.143	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|H<1>,1|O<1>}	110.6910	0.000	1	110.6910	0.000	1	112.3920	5.787	2	112.5124	3.143	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:4:2:	C[5,6a]-3:C[5]-3:C-4:Cl-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl)	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CCHH)(Cl){2|C<4>,4|C<3>}	C(C[5]C[5,6a]C[5]Cl)(CHHN)(H)2	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]ClC)(N[5]C[5,6a]){1|N<3>,1|O<1>,4|C<3>}	116.6470	0.000	1	116.6470	0.000	1	116.6470	0.000	1	116.6470	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:4:3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H)	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H){1|C<3>,2|H<1>}	110.7147	0.663	3	110.7147	0.439	3	110.9128	0.450	4	110.9128	0.450	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:1:1:	4:4:3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H)	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CB[5]C)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CB[5]C){1|S<4>,2|H<1>}	111.5070	0.000	1	111.5070	0.000	1	110.9128	0.450	4	110.9128	0.450	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:2:1:	3:4:3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	113.6150	0.000	1	113.6150	0.000	1	112.6380	1.909	2	112.6380	1.909	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:2:1:	3:4:3:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	111.6610	0.000	1	111.6610	0.000	1	112.6380	1.909	2	112.6380	1.909	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:2:1:	4:2:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|O<1>}	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:2:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(OH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	113.3960	0.000	1	113.3960	0.000	1	113.3960	0.000	1	113.3960	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:2:1:	4:3:2:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:O-2:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H)	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHO)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CCCH)(OH)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(OC){1|C<3>,1|O<1>}	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	109.4630	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:2:1:	4:3:3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H)	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]C)(C[5]O[5]O)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|O<1>}	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	112.1200	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:2:1:	4:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H)	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(C[5]N[5]CH)(O){1|C<4>,1|O<1>}	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|Cl<1>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6,6a]2H)(CC[6a]O)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	113.5370	0.000	1	113.5370	0.000	1	115.8290	10.507	2	114.0912	5.145	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(COO)(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	118.1210	0.000	1	118.1210	0.000	1	115.8290	10.507	2	114.0912	5.145	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:3:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(COO)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	112.9390	0.093	2	112.9390	0.009	2	112.9390	0.009	2	114.0912	5.145	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:3:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CF3)(COO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]H)(CF3)(COO)(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	112.9200	0.000	1	112.9200	0.000	1	112.9200	0.000	1	114.0912	5.145	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:3:2:	4:2:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H)	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H){1|C<4>}	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,1|H<1>}	115.8350	0.000	1	115.8350	0.000	1	115.8350	0.000	1	115.8350	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:3:2:	4:3:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H)	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	C[5](C[5]C[5]CH)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCCO)(H){1|C<4>}	C(C[5]C[5]2H)(CBrCH)(COO)(OH)	C[5](C[5]C[5]CH)(C[5]O[5]C)(H){1|O<1>}	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	3:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	111.4410	5.861	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	3:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CF3)2(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(CF3)2(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O){1|C<4>,1|O<1>,2|C<3>}	109.7360	0.000	1	109.7360	0.000	1	109.7360	0.000	1	111.4410	5.861	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	3:4:1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](N[5,5]C[5,5,6]C[5,6a])(C[5]N[5,6]CH)(O){1|C<4>,1|H<1>,3|C<3>}	110.3750	0.000	1	110.3750	0.000	1	110.3750	0.000	1	111.4410	5.861	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>,2|C<4>}	111.7960	0.402	2	111.6555	0.808	4	111.9144	0.941	5	111.6475	1.322	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|H<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>,2|H<1>}	111.5150	1.478	2	111.6555	0.808	4	111.9144	0.941	5	111.6475	1.322	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:2:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]H)(CCCH)(H){1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|H<1>,1|O<1>}	112.9500	0.000	1	112.9500	0.000	1	111.9144	0.941	5	111.6475	1.322	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:2:1:	N[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CCCH)(H)	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(O)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CCCH)(H){1|O<1>,3|C<3>}	C(C[5]N[5,5]C[5]H)(CH3)2(H)	C[5](C[5]N[5,5]CH)(O[5]C[5,5])(O){3|C<3>}	113.0490	0.000	1	113.0490	0.000	1	113.0490	0.000	1	111.6475	1.322	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:2:1:	N[5,6]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5,6]Si[5,6]C[6])(C[5]O[5]O)(CCCH)(H)	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](C[5]N[5,6]CH)(O[5]Si[5,6])(O)	C[5](N[5,6]Si[5,6]C[6])(C[5]O[5]O)(CCCH)(H){1|C<3>,1|O<2>,3|C<4>}	C(C[5]N[5,6]C[5]H)(CH3)2(H)	C[5](C[5]N[5,6]CH)(O[5]Si[5,6])(O){1|C<3>,1|O<2>,2|C<4>}	110.9843	1.974	3	110.9843	3.898	3	110.9843	3.898	3	111.6475	1.322	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:2:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H){1|H<1>,1|N<3>,1|O<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|N<3>,1|O<2>,2|H<1>}	111.4820	0.194	2	111.4610	0.176	4	111.4610	0.176	4	111.6475	1.322	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:2:1:	N[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O)	C[5](N[5]P[5,5]H)(C[5]O[5]O)(CCCH)(H){1|N<3>,2|O<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(O[5]P[5,5])(O){1|H<1>,1|N<3>,2|O<2>}	111.4400	0.699	2	111.4610	0.176	4	111.4610	0.176	4	111.6475	1.322	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:F-1:	C[5]-4:N-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F)	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(F){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]F)(NHHS)(CF3)(H)	C[5](C[5]C[5,6a]CF)(N[5]C[5,6a]C)(O){2|C<3>}	113.1375	0.467	2	113.1375	0.218	2	113.1375	0.218	2	112.8164	1.880	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]B)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCCH)(H){1|B<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]B)(H){2|C<3>}	113.9685	1.135	2	113.9685	1.288	2	113.9685	1.288	2	112.8164	1.880	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(C[5]C[5,6a]C[5]H)(CH3)2(H)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	109.6880	0.000	1	109.6880	0.000	1	109.6880	0.000	1	112.8164	1.880	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]N[5]CH)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	113.3175	1.456	2	113.3175	2.120	2	113.3175	2.120	2	112.8164	1.880	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	111.7980	0.072	2	111.7980	0.005	2	112.6993	1.260	7	112.8164	1.880	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<4>,1|S<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	112.6540	0.000	1	112.6540	0.000	1	112.6993	1.260	7	112.8164	1.880	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	113.1960	0.000	1	113.9905	1.262	2	112.6993	1.260	7	112.8164	1.880	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|H<1>,1|S<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(O){1|H<1>,1|S<1>}	114.7850	0.000	1	113.9905	1.262	2	112.6993	1.260	7	112.8164	1.880	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|H<1>,1|N<2>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]N[5]CH)(N[5]C[5]N)(O){1|C<3>,2|H<1>}	112.3320	1.031	2	112.3320	1.063	2	112.6993	1.260	7	112.8164	1.880	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[5]C[5]N[5]H)(CH3)2(H)	C[5](C[5]C[5]CN)(C[5]N[5]CH)(O){1|C<3>,1|O<1>}	115.7310	0.000	1	115.7310	0.000	1	114.0820	5.438	2	114.0820	5.438	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:4:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(O){1|H<1>,1|O<1>}	112.4330	0.000	1	112.4330	0.000	1	114.0820	5.438	2	114.0820	5.438	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:1:	4:4:2:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:N-2:	C[5](C[5]C[5]N)(N[5]C[5]H)(CCCH)(H)	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NN)	C[5](C[5]C[5]N)(N[5]C[5]H)(CCCH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]N[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5]HH)(C[5]N[5]CH)(NN){1|H<1>,1|O<1>}	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	1	113.3190	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:4:	3:4:1:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H)	C(C[5]C[5]2H)(CCCH)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CCCH)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,3|C<3>}	111.6445	0.036	2	111.6445	0.001	2	111.6445	0.001	2	111.6445	0.001	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(CCCH)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	112.4540	0.000	1	112.4540	0.000	1	112.4463	0.058	3	113.6436	1.131	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H)	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(H){1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]H)(CCHH)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	112.4425	0.342	2	112.4425	0.117	2	112.4463	0.058	3	113.6436	1.131	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CC[5]CC)(H){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]H)(C[5]C[5]2Fe)(CCHH)2	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]H)(H){2|C<3>}	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	113.6436	1.131	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(C[6]C[5,6]C[6]H)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	112.7790	0.000	1	112.7790	0.000	1	113.9878	0.932	4	113.6436	1.131	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H)	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(H){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]H)(C[6]C[6]2H)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	114.3907	0.651	3	114.3907	0.424	3	113.9878	0.932	4	113.6436	1.131	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:4:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]S)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CC3)(H){1|H<1>,2|C<3>}	C(C[5]C[5]N[5]H)(CH3)3	C[5](C[5]N[5]CH)(C[5]C[5]C)(H){1|C<3>,1|H<1>,1|S<4>}	114.7940	0.000	1	114.7940	0.000	1	114.7940	0.000	1	113.6436	1.131	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:4:	4:3:1:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC3)(H)	C(C[5]C[5]N[5]H)(CH3)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]H)(CH3)3	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,2|H<1>}	113.5575	0.870	2	113.5575	0.758	2	113.5575	0.758	2	113.6436	1.131	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:4:	4:3:3:	C[5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H)	C(C[5]C[5]2H)(CCCH)(CH3)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CCCH)(CH3)2	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH){1|C<3>,1|O<1>}	115.3970	0.031	2	115.3970	0.001	2	115.3970	0.001	2	115.3970	0.001	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:1:	4:4:4:4:	4:3:4:	P[5,5]-3:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H)	C(C[5]P[5,5]C[5]H)(CH3)3	C[5](C[5]P[5,5]CH)(C[5]P[5,5]O)(CC3)	C[5](P[5,5]P[5,5]C[5])(C[5]C[5]C)(CC3)(H){1|C<3>,1|C<4>,2|O<2>}	C(C[5]P[5,5]C[5]H)(CH3)3	C[5](C[5]P[5,5]CH)(C[5]P[5,5]O)(CC3){1|C<3>,1|C<4>}	117.3630	0.000	2	117.3630	0.000	2	117.3630	0.000	2	117.3630	0.000	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	3:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:S-2:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a]){3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O){3|C<3>}	109.5690	0.890	2	109.5690	0.791	2	110.8327	5.186	3	110.8327	5.186	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	3:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:S-2:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CS)(O){1|C<4>,2|C<3>}	113.3600	0.000	1	113.3600	0.000	1	110.8327	5.186	3	110.8327	5.186	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	3:4:1:1:	3:4:2:	C[5]-3:C[5]-3:C-4:S-2:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(SC[6a]){3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	115.6875	2.429	2	115.6875	5.900	2	115.6875	5.900	2	115.6875	5.900	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	3:4:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:S-2:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]C[5]CS)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]C[5]CS)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	C(C[6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[6a]C[6,6a]C[6a])(C[5]C[5,6a]C[5]O)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.2360	0.000	1	111.2360	0.000	1	111.2360	0.000	1	110.2345	2.006	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:S-2:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]C[5]CS)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]C[5]CS)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	109.2330	0.000	1	109.2330	0.000	1	109.2330	0.000	1	110.2345	2.006	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	3:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:S-2:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a])	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]C[5]CS)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SC[6a]){2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2S)(H)2	C[5](C[5]C[5]CS)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	118.5400	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(CH3)(OH){1|O<2>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CO)(O){1|C<4>,1|N<3>,2|C<3>}	109.1725	0.030	2	109.1725	0.001	2	109.1725	0.001	2	109.7115	0.389	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH){1|C<3>}	C(C[5]C[5]2O)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CO)(O){1|C<4>,2|C<3>}	110.2940	0.000	1	110.2940	0.000	1	110.2940	0.000	1	109.7115	0.389	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	3:4:1:	N[5]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O)	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]O)(CH3)(OH){4|C<3>}	C(C[5]C[5]N[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	110.2070	0.000	1	110.2070	0.000	1	110.2070	0.000	1	109.7115	0.389	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	3:4:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	N[5a]-3:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CH3)(OH){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|H<1>,5|C<3>}	112.7365	0.937	2	112.7365	0.878	2	112.7365	0.878	2	112.7365	0.878	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:2:3:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC){1|C<3>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<1>}	112.2200	0.000	1	112.2200	0.000	1	111.4595	1.157	2	111.4595	1.157	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:2:3:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH){1|C<3>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(N[5]C[5])(CC[5a]H){1|C<3>,1|O<1>}	110.6990	0.000	1	110.6990	0.000	1	111.4595	1.157	2	111.4595	1.157	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:Si-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a])(SiC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]Si)(CH3)(OO){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a])(SiC3){2|C<3>}	113.2030	1.277	2	113.2030	1.631	2	113.2030	1.631	2	113.0110	0.926	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(OH){1|C<3>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	113.0110	0.926	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN)	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(NN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	110.0270	0.000	1	110.0270	0.000	1	110.0270	0.000	1	109.7877	0.683	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	109.4390	0.000	2	109.4390	0.000	2	110.0234	0.566	7	109.7877	0.683	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OC){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]S)(O){2|C<3>}	109.4870	0.000	1	109.4870	0.000	1	110.0234	0.566	7	109.7877	0.683	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(OO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	110.4497	0.752	4	110.4497	0.566	4	110.0234	0.566	7	109.7877	0.683	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OC){1|C<3>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]C)(O){1|C<3>}	109.3550	0.000	1	109.3550	0.000	1	108.8430	0.524	2	109.7877	0.683	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CH3)(OH){1|C<3>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]C)(O){1|C<3>}	108.3310	0.000	1	108.3310	0.000	1	108.8430	0.524	2	109.7877	0.683	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH)	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CH3)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(H)3	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(NC[6a]){2|C<3>}	110.0380	0.000	1	110.0380	0.000	1	110.0380	0.000	1	110.8900	1.452	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]O)(N[5]C[5]O)(CH3)(OH)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]H)(OC)	C[5](C[5]C[5]O)(N[5]C[5]O)(CH3)(OH){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]H)(OC){1|O<1>,1|O<2>}	111.7420	0.000	1	111.7420	0.000	1	111.7420	0.000	1	110.8900	1.452	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC){1|C<2>,1|C<3>}	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(CCH){1|C<3>,1|C<4>}	120.0080	0.000	1	120.0080	0.000	1	116.1065	30.443	2	116.1065	30.443	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH)	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]O)(H)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(COO){1|C<4>,1|O<1>}	112.2050	0.000	1	112.2050	0.000	1	116.1065	30.443	2	116.1065	30.443	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CC)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	110.2400	0.000	1	110.2400	0.000	1	110.6613	0.883	3	109.9450	2.285	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	111.7380	0.000	1	110.8720	1.500	2	110.6613	0.883	3	109.9450	2.285	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CN)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	110.0060	0.000	1	110.8720	1.500	2	110.6613	0.883	3	109.9450	2.285	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH)	C(C[5]C[5,6a]C[5]O)(OH)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(OH)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	109.0774	1.267	5	109.0774	1.604	5	109.5868	2.841	6	109.9450	2.285	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO)	C(C[5]C[5,6a]C[5]O)(OO)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHO)(OO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(OO)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	112.1340	0.000	1	112.1340	0.000	1	109.5868	2.841	6	109.9450	2.285	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CCHH)(OH)	C(C[5]C[5]2O)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCHH)(OH){2|C<3>}	C(C[5]C[5]2O)(CCO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	113.9175	0.726	2	113.9175	0.527	2	113.9175	0.527	2	113.9175	0.527	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N-3:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH)	C(C[5]C[5]2O)(NOO)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH){1|C<3>,1|C<4>}	C(C[5]C[5]2O)(NOO)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]CO)(COO){1|C<4>,1|O<1>,2|C<3>}	117.0590	0.593	2	117.0590	0.351	2	117.0590	0.351	2	117.0590	0.351	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:S-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(SC)	C(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CS)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(SC){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]S)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CS)(O[5]C[5,6a])(O){2|C<3>}	111.4000	0.000	2	111.4000	0.000	2	111.4000	0.000	2	112.1252	0.885	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:2:1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(CC[6a]HH)(O[5]C[5]){1|C<4>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]N[6a])(H)2	C[5](C[5]C[6a]O[5]C)(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	112.8505	0.742	2	112.8505	0.550	2	112.8505	0.550	2	112.1252	0.885	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5]CO)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH){1|C<4>}	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5]CO)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	112.3870	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.3530	0.000	1	109.3530	0.000	1	109.3530	0.000	1	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:Br-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(Br)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CBrCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(Br)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	116.6500	0.000	1	116.6500	0.000	1	116.6500	0.000	1	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC)	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	107.6100	0.000	1	107.6100	0.000	1	112.1960	2.855	22	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CCC)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	110.8790	0.000	1	110.8790	0.000	1	112.1960	2.855	22	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	109.4850	0.000	1	109.4850	0.000	1	112.1960	2.855	22	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CCH)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	110.2970	0.945	2	110.2970	0.892	2	112.1960	2.855	22	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCO)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CCO)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	113.3770	0.441	2	113.3770	0.195	2	112.1960	2.855	22	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[5a]O)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CC[5a]O)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	113.1090	0.000	1	113.1090	0.000	1	112.1960	2.855	22	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	112.2758	1.093	6	112.2346	1.007	7	112.1960	2.855	22	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.9870	0.000	1	112.2346	1.007	7	112.1960	2.855	22	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	113.4527	0.354	6	113.4527	0.125	6	112.1960	2.855	22	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(COO)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(COO)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	113.5240	0.000	1	113.5240	0.000	1	112.1960	2.855	22	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	108.4985	2.938	2	108.4985	8.632	2	108.4985	8.632	2	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	106.3890	0.000	1	106.3890	0.000	1	108.5354	4.463	7	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OC){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	106.6390	0.000	1	106.6390	0.000	1	108.5354	4.463	7	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	111.1700	0.000	1	111.1700	0.000	1	108.5354	4.463	7	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	107.9615	2.408	2	107.9615	5.797	2	108.5354	4.463	7	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	108.8360	0.000	1	108.8360	0.000	1	108.5354	4.463	7	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(OO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	110.7910	0.000	1	110.7910	0.000	1	108.5354	4.463	7	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N-3:F-1:F-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC)	C(C[5]C[5,6a]C[5]O)(NOO)(F)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFFN)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(NOO)(F)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH)	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(NOO)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	109.3647	4.607	3	109.3647	21.223	3	109.3647	21.223	3	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:N[5a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CN[5a]HH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(N[5a]C[5a]N[5a])(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	107.1030	0.000	1	107.1030	0.000	1	107.1030	0.000	1	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:S-2:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(SC[6a])	C(C[5]C[5,6a]C[5]S)(C[5a]C[5a]S[5a])(H)2	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(SC[6a]){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]S)(C[5a]C[5a]S[5a])(H)2	C[5](C[5]C[5,6a]CS)(N[5]C[5,6a]H)(O){2|C<3>}	110.9810	0.000	1	110.9810	0.000	1	110.9810	0.000	1	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5]CO)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(OH){1|C<4>}	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5]C[5]CO)(N[5]N[5]C)(O){1|C<4>}	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH)	C(C[5]C[5]2O)(NOO)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CHHN)(OH){1|C<3>,1|C<4>}	C(C[5]C[5]2O)(NOO)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){2|C<3>}	110.7510	0.462	2	110.7510	0.214	2	110.7510	0.214	2	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:Se-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a])	C(C[5]C[5]2Se)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]SeC)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a]){2|C<4>}	C(C[5]C[5]2Se)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]SeC)(N[5]C[5]C)(O){1|C<3>,1|C<4>}	112.1620	0.000	1	112.1620	0.000	1	112.1620	0.000	1	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH)	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH){2|C<3>}	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	111.3805	1.184	2	111.3805	1.403	2	111.3805	1.403	2	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[6a]HH)(OH)	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(CC[6a]HH)(OH){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(H){1|H<1>,1|O<1>}	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH)	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CO)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|S<1>}	C(C[5]C[5]N[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CO)(N[5]C[5]C)(O){1|C<4>,1|S<1>}	111.6810	0.431	2	111.6810	0.186	2	111.6810	0.186	2	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH)	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(OH){4|C<3>}	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){2|C<3>}	114.5180	0.000	1	114.5180	0.000	1	114.5180	0.000	1	111.0169	6.404	49	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:C-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:N-2:	C[5](C[5]C[5]N)(N[5]C[5]O)(CC[6a]HH)(CN)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]C)(NH)	C[5](C[5]C[5]N)(N[5]C[5]O)(CC[6a]HH)(CN){2|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]C)(NH){1|C<3>,1|O<1>}	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	114.0692	26.179	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:C[6a]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CC[6a]HH)(OH){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]O)(C[6a]C[6a]2){2|H<1>,4|C<3>}	111.7515	3.358	2	111.7515	11.277	2	111.7515	11.277	2	114.0692	26.179	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:Se-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a])	C(C[5]C[5]2Se)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]SeC)(C[5]N[5]C)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)(SeC[6a]){2|C<4>}	C(C[5]C[5]2Se)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]SeC)(C[5]N[5]C)(COO){1|C<4>,1|O<1>}	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	114.0692	26.179	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:1:1:	4:3:4:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH)	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]H)(CCHH)(OH){1|O<1>,1|O<2>}	C(C[5]C[5]N[5]O)(COO)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	112.4470	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CN)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	107.7258	1.186	4	107.7258	1.406	4	107.7258	1.406	4	108.6641	1.521	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	109.3622	0.720	4	109.3622	0.519	4	109.4148	0.403	5	108.6641	1.521	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HO)(OO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OO)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	109.6250	0.000	1	109.6250	0.000	1	109.4148	0.403	5	108.6641	1.521	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(NCS)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CC[6a]HN)(OC){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(NCS)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	110.8890	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	106.8940	0.000	1	106.8940	0.000	1	109.0645	6.536	8	109.8318	7.700	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	109.9853	2.223	6	109.9853	4.940	6	109.0645	6.536	8	109.8318	7.700	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CNO)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CNO)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	105.7100	0.000	1	105.7100	0.000	1	109.0645	6.536	8	109.8318	7.700	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:3:1:	4:3:1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	112.9460	0.000	1	112.9460	0.000	1	112.9010	0.004	2	109.8318	7.700	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:3:1:	4:3:1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[6a]CH)(O[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CC[6a]O)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]C)(H){1|O<1>,2|C<3>}	112.8560	0.000	1	112.8560	0.000	1	112.9010	0.004	2	109.8318	7.700	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	110.3730	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CC[6a]O)(CCHH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	115.0480	0.000	1	115.0480	0.000	1	115.0480	0.000	1	110.1692	8.240	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[5a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(C[5a]C[5a]O[5a])(CH3)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	106.9460	0.000	1	106.9460	0.000	1	106.9460	0.000	1	110.1692	8.240	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	110.6110	0.000	1	110.6110	0.000	1	110.6110	0.000	1	110.1692	8.240	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:4:1:	4:3:1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[5a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(CC[5a]CH)(O[5]C[5]){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]O[5])(C[5a]C[5a]S[5a])(CCHH)(H)	C[5](C[5]C[6a]O[5]C)(C[5]C[5]H)(H){1|O<1>,2|C<3>}	111.3530	0.000	1	111.3530	0.000	1	111.3530	0.000	1	110.1692	8.240	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:4:1:	4:3:1:	C[6a]-3:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5])	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]O[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[6a]O[5]C)(N[5]C[6a]C[5])(O){1|O<1>,4|C<3>}	108.6490	0.000	1	108.6490	0.000	1	108.6490	0.000	1	110.1692	8.240	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:3:4:1:	4:3:1:	C[6a]-3:C[5]-3:C-4:S[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5])	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[6a]S[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(CC[6a]CH)(S[5]C[5]){1|O<1>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]S[5])(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[6a]S[5]C)(N[5]C[6a]C[5])(O){1|O<1>,4|C<3>}	108.4080	0.000	1	108.4080	0.000	1	108.4080	0.000	1	110.1692	8.240	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH)	C(C[5]C[5]N[5]O)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CCHH)(OH){2|C<3>}	C(C[5]C[5]N[5]O)(CHHN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	104.6790	0.000	1	104.6790	0.000	1	104.6790	0.000	1	112.8522	30.237	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OC)	C(C[5]C[5]N[5]O)(CCCH)(H)2	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OC){2|C<3>}	C(C[5]C[5]N[5]O)(CCCH)(H)2	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	114.5320	0.000	1	114.5320	0.000	1	115.5767	0.821	3	112.8522	30.237	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OH)	C(C[5]C[5]N[5]O)(CCCH)(H)2	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHH)(OH){2|C<3>}	C(C[5]C[5]N[5]O)(CCCH)(H)2	C[5](C[5]C[6a]C[5])(C[5]N[5]CO)(O){1|H<1>,3|C<3>}	116.0990	0.064	2	116.0990	0.004	2	115.5767	0.821	3	112.8522	30.237	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	3:4:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5a]-3:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CCHH)(OH){1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](C[5a]C[5a]N[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]){1|C<4>,1|H<1>,4|C<3>}	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	108.8610	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	N[5a]-3:C[5]-4:N[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5a]N[5])(CCHH)(OH){2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](N[5a]C[5a,6a]C[5a])(C[5]C[5,6a]CO)(N[5]C[5,6a]H){1|H<1>,5|C<3>}	116.0720	0.000	1	116.0720	0.000	1	116.0720	0.000	1	116.0720	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(OH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	109.4855	0.166	2	109.4855	0.028	2	109.4855	0.028	2	110.8807	5.853	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH)	C(C[5]C[5]N[5]O)(CH3)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]O)(CH3)(H)2	C[5](C[5]N[5]CO)(C[5]C[5]H)(H){1|C<4>,1|O<1>}	113.6710	0.000	1	113.6710	0.000	1	113.6710	0.000	1	110.8807	5.853	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CCHH)(OH){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]O)(CN[5]CH)(H)2	C[5](C[5]C[5,6a]CO)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	114.0220	0.000	1	114.0220	0.000	1	114.0220	0.000	1	109.9445	33.252	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:N-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]N)(CCHH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CHHN)(H)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(NS){2|C<3>}	105.8670	0.000	1	105.8670	0.000	1	105.8670	0.000	1	109.9445	33.252	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(CCHH)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	111.9840	0.000	1	111.9840	0.000	1	111.9190	0.008	2	111.9190	0.008	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH)	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CCHH)(OH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(CH3)(H)2	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(C[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	111.8540	0.000	1	111.8540	0.000	1	111.9190	0.008	2	111.9190	0.008	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi)	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHO)(OSi){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]O)(CCHO)(OSi)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]H)(O){2|C<3>}	112.5500	0.884	2	112.5500	0.781	2	112.5500	0.781	2	112.5500	0.781	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:3:1:	3:4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CCCH)(OH)	C(C[5]C[5]2O)(CCHH)(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCCH)(OH){2|C<3>}	C(C[5]C[5]2O)(CCHH)(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	115.0860	2.690	2	115.0860	7.235	2	114.4535	9.253	4	114.4535	9.253	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:3:1:	3:4:1:	C[5]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CCCH)(OH)	C(C[5]C[5]2O)(CH3)(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]O)2(CCCH)(OH){2|C<3>}	C(C[5]C[5]2O)(CH3)(CCO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<1>,2|C<3>}	113.8210	4.350	2	113.8210	18.924	2	114.4535	9.253	4	114.4535	9.253	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:3:1:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:N-3:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC)	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(CCHN)(OC){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(NCS)(H)	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CO)(CCH){4|C<3>}	110.5640	0.000	1	110.5640	0.000	1	110.5640	0.000	1	110.5640	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|Br<1>,1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	110.1745	0.753	2	110.3615	1.512	4	110.0955	1.331	6	110.0955	1.331	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	110.5485	1.957	2	110.3615	1.512	4	110.0955	1.331	6	110.0955	1.331	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(CCH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[6a]HH)(CCH)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	108.7660	0.000	1	108.7660	0.000	1	110.0955	1.331	6	110.0955	1.331	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH)	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	110.3610	0.000	1	110.3610	0.000	1	110.0955	1.331	6	110.0955	1.331	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH)	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(NHS)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(OH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CH3)(COO)(NHS)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	109.3350	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC)	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]O)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	109.9950	0.000	1	109.9950	0.000	1	109.9950	0.000	1	109.9950	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:4:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:O-2:	C[5]-4:C[6]-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH)	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]CC)(OH){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]O)(C[6]C[6]2H)(CH3)2	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(O){2|C<3>}	114.2780	0.000	1	114.2780	0.000	1	114.2780	0.000	1	113.0597	1.412	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:2:	4:4:4:4:	4:3:1:	C[5]-3:N[5]-3:C-4:O-2:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CC3)(OC)	C(C[5]C[5]N[5]O)(CH3)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CC3)(OC){1|C<3>,1|C<4>}	C(C[5]C[5]N[5]O)(CH3)3	C[5](C[5]N[5]CO)(C[5]C[5]C)(O){1|C<4>,1|H<1>}	112.4505	0.773	2	112.4505	0.597	2	112.4505	0.597	2	113.0597	1.412	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	3:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C){3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	107.9020	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	3:4:1:1:	3:4:2:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)(CC[6a]C){3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	3:4:1:1:	4:2:1:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:H-1:	C[5](C[5]C[5]C)(C[5]N[5]H)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]C[5])(H)	C[5](C[5]C[5]C)(C[5]N[5]H)(CC[6a]HH)(COO){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]C[5])(H){1|C<4>,2|C<3>}	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	113.0320	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	3:4:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]N[5]H)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH)	C[5](C[5]C[5]C)(C[5]N[5]H)(CC[6a]HH)(COO){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH){1|H<1>}	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	112.8510	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	3:4:3:2:	3:4:1:	C[5]-3:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-4:C-3:O-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	107.4400	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	3:4:3:2:	4:2:4:	C[5]-3:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-4:C-3:O-2:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2N)(COO)(OC)	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO){2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){4|C<3>}	111.0890	0.000	1	111.0890	0.000	1	111.4003	0.152	3	110.0781	4.690	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]O[5])(C[5]C[5]CC)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH){1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]O[5])(C[5]C[5]CC)(H){1|O<1>,2|C<3>}	111.5560	0.397	2	111.5560	0.158	2	111.4003	0.152	3	110.0781	4.690	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	112.9460	0.000	1	112.4145	0.565	2	112.4145	0.565	2	110.0781	4.690	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,3|C<3>}	111.8830	0.000	1	112.4145	0.565	2	112.4145	0.565	2	110.0781	4.690	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	C(C[5]C[5]2N)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	C(C[5]C[5]2N)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CN)(O){1|C<4>,2|C<3>}	107.7150	0.297	2	107.7150	0.088	2	107.7150	0.088	2	110.0781	4.690	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]S)(CH3)(CCH){2|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,1|S<4>,2|C<3>}	107.2330	0.000	1	107.2330	0.000	1	107.2330	0.000	1	110.0781	4.690	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	3:4:1:	N[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(CH3)(COO)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(O)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]O)(CH3)(COO){2|C<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(O){1|C<3>,2|C<4>,2|H<1>}	109.0100	0.000	1	109.0100	0.000	1	109.0100	0.000	1	110.0781	4.690	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH)	C[5](C[5]C[5]C)(C[5]C[5]H)(CH3)(CCO){2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCH){1|H<1>,3|C<3>}	113.5220	0.000	1	113.5220	0.000	1	113.5220	0.000	1	113.8670	0.238	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO)	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C)	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO){1|C<4>,2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]O[5]C){2|H<1>,3|C<3>}	114.2120	0.000	1	114.2120	0.000	1	114.2120	0.000	1	113.8670	0.238	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(COO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(COO){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	111.4840	1.683	2	111.4840	2.832	2	111.4840	2.832	2	109.4683	3.458	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	109.1608	1.532	4	108.5630	2.297	6	108.5630	2.297	6	109.4683	3.458	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP)	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)(NHP){3|C<3>}	C(C[5]C[5,6a]C[5]N)(H)3	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	107.3675	0.395	2	108.5630	2.297	6	108.5630	2.297	6	109.4683	3.458	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:2:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CH3)(CCH){1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,1|H<1>}	108.8970	0.313	2	108.8970	0.098	2	109.9350	3.281	3	109.4683	3.458	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:2:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)(COO){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<4>,1|H<1>,1|O<1>}	112.0110	0.000	1	112.0110	0.000	1	109.9350	3.281	3	109.4683	3.458	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:2:3:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(CHH)	C[5](C[5]C[6a]C[5])(C[5]O[5]C)(CH3)(CCO){1|C<4>,2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(CHH){1|C<3>,1|C<4>}	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	113.0760	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO){1|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<4>,1|O<1>}	113.1480	0.000	2	113.1480	0.000	2	113.1480	0.000	2	112.2970	0.975	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(NCO){1|C<3>}	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	111.4460	0.164	2	111.4460	0.027	2	111.4460	0.027	2	112.2970	0.975	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)(CNO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)(CNO){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]C)(H){2|C<3>}	110.9050	0.000	1	110.9050	0.000	1	110.9050	0.000	1	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.7190	0.081	2	107.7190	0.006	2	107.9872	0.371	10	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.1390	0.000	1	108.1390	0.000	1	107.9872	0.371	10	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.5570	0.310	4	108.0373	0.628	6	107.9872	0.371	10	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(CCO){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.9980	0.291	2	108.0373	0.628	6	107.9872	0.371	10	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)(COO){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	108.0710	0.000	1	108.0710	0.000	1	107.9872	0.371	10	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS)	C(C[5]C[5,6a]C[5]N)(F)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CF3)(NHS){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(F)3	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	109.8685	0.537	2	109.8685	0.288	2	109.8685	0.288	2	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|O<1>}	111.6763	0.813	3	112.0443	0.982	4	111.5670	1.513	10	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|H<1>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	113.1480	0.000	1	112.0443	0.982	4	111.5670	1.513	10	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|C<4>,1|H<1>,1|O<1>}	111.7802	1.386	4	111.7802	1.920	4	111.5670	1.513	10	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5]C)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CH3)(COO){1|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5]C)(O){1|C<4>}	110.1860	0.000	2	110.1860	0.000	2	111.5670	1.513	10	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CH3)(CNO)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CH3)(CNO){1|C<3>,1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(O){2|C<4>}	110.8470	0.000	1	110.8470	0.000	1	110.3233	0.224	3	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CH3)(CNO)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CH3)(CNO){1|C<3>,1|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(O){1|C<4>,1|H<1>}	110.0615	0.190	2	110.0615	0.036	2	110.3233	0.224	3	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(CNO)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(CNO){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|C<4>,1|O<1>}	106.7380	0.000	1	106.7380	0.000	1	106.7380	0.000	1	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CH3)(COO)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]H)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]N)(H){1|C<3>,1|O<1>}	114.0095	1.326	2	114.0095	1.758	2	114.0095	1.758	2	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CH3)(CNO)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CH3)(CNO){1|C<4>,3|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(O){1|C<3>,1|C<4>}	110.2250	0.433	4	110.2250	0.188	4	110.2250	0.188	4	110.0852	4.031	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCH){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){1|H<1>,1|O<2>,4|C<3>}	110.1770	0.000	1	110.1770	0.000	1	111.8745	5.763	2	111.8745	5.763	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5])(CH3)(CCO){1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[6a]C[6a]2)(N[5]C[5,6a]){2|H<1>,4|C<3>}	113.5720	0.000	1	113.5720	0.000	1	111.8745	5.763	2	111.8745	5.763	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)(CHH)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Ni)(CCH)	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)(CHH){1|Ni<6>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Ni)(CCH){1|O<1>,2|C<4>}	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)(CCH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(CCH){2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	110.1705	0.896	2	110.1705	0.803	2	110.6635	0.618	4	112.7029	5.220	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)(CNO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(CNO){2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	111.1565	0.282	2	111.1565	0.080	2	110.6635	0.618	4	112.7029	5.220	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:P-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CH3)(PIP)	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CH3)(PIP){2|C<4>}	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	114.7422	0.687	4	114.7422	0.472	4	114.7422	0.472	4	112.7029	5.220	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|C<4>,1|O<1>}	110.9483	0.603	3	110.6188	0.677	4	111.7309	1.172	11	111.7309	1.172	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|C<3>,1|O<1>}	109.6300	0.000	1	110.6188	0.677	4	111.7309	1.172	11	111.7309	1.172	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|C<3>,1|O<1>}	112.5160	0.000	1	112.2688	0.304	6	111.7309	1.172	11	111.7309	1.172	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|H<1>,1|O<1>}	112.0940	0.614	4	112.2688	0.304	6	111.7309	1.172	11	111.7309	1.172	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)(COO){1|H<1>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|C<4>,1|O<1>}	112.7210	0.000	1	112.2688	0.304	6	111.7309	1.172	11	111.7309	1.172	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O)	C[5](C[5]C[5]O)(C[5]O[5]O)(CH3)(COO){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O){1|O<1>}	112.9520	0.000	1	112.9520	0.000	1	111.7309	1.172	11	111.7309	1.172	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:4:3:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]CC)(COO){6|C<3>}	110.8120	0.000	1	110.8120	0.000	1	110.4695	0.235	2	110.4695	0.235	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:1:1:1:	4:4:3:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	P[5]-4:C[5]-4:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](P[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]CC)(COO)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]C)(CH3)(COO){1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](P[5]C[5,6a]C[6a]C[6])(C[5]C[5,6a]CC)(COO){6|C<3>}	110.1270	0.000	1	110.1270	0.000	1	110.4695	0.235	2	110.4695	0.235	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:2:1:1:	4:4:1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]C)(CHHO)(COO)	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(N[5]C[5]C)(CHHO)(COO){1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|C<4>,1|O<1>}	108.7717	0.655	3	108.7717	0.429	3	108.7717	0.429	3	108.7717	0.429	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH)	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O)	C[5](C[5,6a]C[5,6,6a]C[6a])(C[5]N[5,6]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O){1|C<4>,2|C<3>,2|H<1>}	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	110.3630	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	C(C[5]C[5]2C)(COO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,4|H<1>}	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	112.1110	0.727	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	3:4:3:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5])(C[5]N[5]CC)(COO)	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)(COO){2|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[6a]C[5])(C[5]N[5]CC)(COO){1|C<4>,3|C<3>}	112.7140	0.000	1	112.7140	0.000	1	112.7140	0.000	1	112.1110	0.727	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCO)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCO){1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	108.8740	0.000	1	108.8740	0.000	1	109.7260	1.452	2	109.3813	1.082	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(COO)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(COO){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	110.5780	0.000	1	110.5780	0.000	1	109.7260	1.452	2	109.3813	1.082	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(NCH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(O[5]C[5,6a])(O){2|C<3>}	108.6920	0.000	1	108.6920	0.000	1	108.6920	0.000	1	109.3813	1.082	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(COO)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(COO){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O){2|C<3>}	108.9370	0.000	2	108.9370	0.000	2	108.9370	0.000	2	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	105.2470	0.000	1	105.2470	0.000	1	105.2470	0.000	1	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCH)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	108.2230	2.273	2	108.2230	5.165	2	108.7678	1.878	5	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CC[6a]C)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	108.8645	0.965	2	108.8645	0.932	2	108.7678	1.878	5	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5,6a]C[5]N)(COO)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(COO)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	109.6640	0.000	1	109.6640	0.000	1	108.7678	1.878	5	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]O[5a])(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	109.1210	0.000	1	109.1210	0.000	1	109.1210	0.000	1	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS)	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6]HH)(NHS){1|Br<1>,1|C<4>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6]C[6]O[6])(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	108.7820	0.000	1	108.7820	0.000	1	108.7820	0.000	1	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NCN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	109.0755	0.163	2	109.0755	0.027	2	108.6308	0.404	4	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(NHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]H)(O){2|C<3>}	108.1860	0.628	2	108.1860	0.394	2	108.6308	0.404	4	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH)	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(NOO)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	107.8790	0.000	1	107.8790	0.000	1	107.8790	0.000	1	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6a]-3:C-4:C[5]-3:	C[5]-4:C[6a]-3:Cl-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O)	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(CC[6a]ClH)(C[5]N[5]O){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[6a]C[5])(C[6a]C[6a]2)(Cl)(H)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(O){4|C<3>}	107.6010	0.000	1	107.6010	0.000	1	107.6010	0.000	1	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|C<3>,1|H<1>}	111.1980	0.000	1	111.1980	0.000	1	111.1980	0.000	1	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5]2N)(CCH)(H)2	C[5](C[5]C[5]CN)(N[5]C[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2N)(CCH)(H)2	C[5](C[5]C[5]CN)(N[5]C[5]C)(O){1|C<4>,1|H<1>,1|O<1>}	107.7010	0.000	1	107.7010	0.000	1	107.7010	0.000	1	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]O)(CCHH)(COO)	C(C[5]C[5]N[5]C)(COO)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(CCHH)(COO){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(COO)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|O<1>}	116.5020	0.000	1	116.5020	0.000	1	116.5020	0.000	1	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH)	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CN)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(NCH){1|C<4>,1|S<1>}	C(C[5]C[5]N[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CN)(N[5]C[5]C)(O){1|H<1>,1|S<1>}	112.2310	0.123	2	112.2310	0.015	2	112.2310	0.015	2	109.2728	5.452	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH)	C(C[5]C[5]2N)(CCH)(H)2	C[5](C[5]C[5]CN)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CCHH)(NCH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2N)(CCH)(H)2	C[5](C[5]C[5]CN)(C[5]N[5]CH)(O){1|C<3>,1|O<1>}	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	109.0400	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:2:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:C-2:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]CH)(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]CH)(COO){1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CC)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	109.4070	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:N-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(COO)(NC)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	107.8045	2.012	2	107.8045	4.047	2	107.8045	4.047	2	107.8045	4.047	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:3:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:C[6a]-3:N-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]HN)(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(CC[6a]HN)(COO){2|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|H<1>,3|C<3>}	111.1550	0.291	2	111.1550	0.085	2	111.1550	0.085	2	111.1550	0.085	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH)	C(C[5]C[5,6a]C[5]N)(CCO)2(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCO)2(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	105.1970	0.000	1	105.1970	0.000	1	105.1970	0.000	1	107.2221	4.914	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	108.5810	3.929	2	108.5810	15.435	2	108.0480	3.523	6	107.2221	4.914	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CN[5a]O)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(CN[5a]O)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	107.7815	0.666	4	107.7815	0.443	4	108.0480	3.523	6	107.2221	4.914	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(NOO)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	104.2920	0.000	1	104.2920	0.000	1	104.2920	0.000	1	107.2221	4.914	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:N-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(NC)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(NC)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	107.2500	0.000	1	107.2500	0.000	1	107.2500	0.000	1	107.9193	0.475	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:3:2:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:C-3:O-2:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH)	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CO)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[6a]C[6a]2)(COO)(OC)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	108.0532	0.678	5	108.0532	0.459	5	108.0532	0.459	5	107.9193	0.475	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C[5a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH)	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(C[5a]C[5a]S[5a])(CHHN)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CCCH)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	109.5160	0.000	1	109.5160	0.000	1	108.9303	0.707	3	109.2348	0.842	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	107.9670	0.000	1	107.9670	0.000	1	108.9303	0.707	3	109.2348	0.842	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS)	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(NHS){2|C<3>,2|C<4>}	C(C[5]C[5,6a]C[5]N)(CHHN)(H)2	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	109.3080	0.000	1	109.3080	0.000	1	108.9303	0.707	3	109.2348	0.842	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]O)(CCHH)(CNO)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]O)(CCHH)(CNO){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|O<1>,1|O<2>}	110.1480	0.000	1	110.1480	0.000	1	110.1480	0.000	1	109.2348	0.842	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:1:1:	4:4:1:	N[5]-3:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH)	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(CCHH)(CCH){1|C<4>,1|O<1>,3|C<3>}	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|C<3>,1|O<1>}	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	110.8720	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:2:1:	4:4:1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHO)(COO)	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(N[5]C[5]H)(CCHO)(COO){1|O<1>,2|C<4>}	C(C[5]C[5]N[5]C)(CCCH)(OC)(H)	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|H<1>,1|O<1>}	110.9055	2.047	2	110.9055	4.191	2	110.9055	4.191	2	110.9055	4.191	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-3:	C[5]-4:C-4:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC)	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(CCC){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(NOO)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.4620	0.000	1	109.4620	0.000	1	109.4620	0.000	1	107.0457	4.874	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH)	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(NOO)(H)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	105.1340	0.000	1	105.1340	0.000	1	105.1340	0.000	1	107.0457	4.874	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:S-4:N-3:F-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH)	C(C[5]C[5,6a]C[5]N)(SC[6a]OO)(NOO)(F)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CFNS)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(SC[6a]OO)(NOO)(F)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	106.5410	0.000	1	106.5410	0.000	1	106.5410	0.000	1	107.0457	4.874	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:C-3:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH)	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(COS)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC3)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(COS)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	107.4640	0.284	2	107.4640	0.081	2	107.4640	0.081	2	107.7800	0.340	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:3:	4:4:3:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:N-3:	C[5]-4:C-4:C-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH)	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(NHS)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCN)(NCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]N)(CH3)(COO)(NHS)	C[5](C[5]C[5,6a]CN)(N[5]C[5,6a]C)(O){2|C<3>}	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	107.7800	0.340	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:3:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:3:4:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN){2|C<3>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	109.5115	2.036	2	109.5115	4.144	2	110.9114	2.438	14	109.5807	5.371	29	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CC[6a]HH)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]HH)2{2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	111.1448	1.445	12	111.1448	2.088	12	110.9114	2.438	14	109.5807	5.371	29	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	106.2120	0.000	1	106.2120	0.000	1	108.3387	5.054	15	109.5807	5.371	29	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	107.4023	1.195	10	107.4023	1.428	10	108.3387	5.054	15	109.5807	5.371	29	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	111.2113	1.968	4	111.2113	3.872	4	108.3387	5.054	15	109.5807	5.371	29	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(COO)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2{1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[6a]N[5])(C[5]C[5]CC)(COO){1|C<4>,1|O<1>,2|C<3>}	113.5435	3.023	2	113.5435	9.138	2	113.5435	9.138	2	113.5435	9.138	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]2H)(CC[6a]HH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	107.9830	0.000	1	107.9830	0.000	1	111.9405	7.077	15	111.9405	7.077	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	111.0256	1.608	10	111.0256	2.585	10	111.9405	7.077	15	111.9405	7.077	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	115.2173	1.717	4	115.2173	2.947	4	111.9405	7.077	15	111.9405	7.077	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO){1|Cl<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.2070	0.000	1	107.2070	0.000	1	107.2070	0.000	1	111.5980	4.088	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]2)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	109.8325	1.446	2	109.8325	2.091	2	112.0623	2.501	16	111.5980	4.088	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	112.9450	0.000	1	112.3230	0.774	2	112.0623	2.501	16	111.5980	4.088	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	111.7010	0.000	1	112.3230	0.774	2	112.0623	2.501	16	111.5980	4.088	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<3>,1|O<1>}	112.6510	0.000	1	112.3399	2.987	8	112.0623	2.501	16	111.5980	4.088	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|O<1>}	110.6223	1.599	3	112.3399	2.987	8	112.0623	2.501	16	111.5980	4.088	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|N<3>,1|O<1>}	113.5503	0.574	4	112.3399	2.987	8	112.0623	2.501	16	111.5980	4.088	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]N)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]N)(O){1|H<1>,1|O<1>}	112.4917	0.878	4	112.4917	0.772	4	112.0623	2.501	16	111.5980	4.088	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CC[6a]HH)2{1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){2|C<3>}	109.3430	1.516	2	109.3430	2.298	2	109.3430	2.298	2	111.5980	4.088	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CN[5]HH)(CH3)	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CN[5]HH)(CH3){2|C<4>}	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	112.3345	2.821	2	112.3345	7.956	2	112.3345	7.956	2	111.5980	4.088	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]2C)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]2C)(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	110.2085	0.571	2	110.2085	0.326	2	110.4286	1.747	10	110.8585	3.237	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	108.7770	0.000	1	108.7770	0.000	1	110.4286	1.747	10	110.8585	3.237	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){1|H<1>,3|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	111.5230	0.132	2	110.7274	1.991	7	110.4286	1.747	10	110.8585	3.237	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	110.4092	1.594	5	110.7274	1.991	7	110.4286	1.747	10	110.8585	3.237	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.4975	0.052	2	110.6432	0.440	4	110.6432	0.440	4	110.8585	3.237	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.7890	1.110	2	110.6432	0.440	4	110.6432	0.440	4	110.8585	3.237	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]CC)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]2H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	107.0620	0.000	1	107.0620	0.000	1	111.7187	7.597	6	110.8585	3.237	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>}	110.7010	0.000	1	110.7010	0.000	1	111.7187	7.597	6	110.8585	3.237	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN){4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<1>,2|H<1>}	113.1372	1.551	4	113.1372	2.405	4	111.7187	7.597	6	110.8585	3.237	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:2:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3)	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3){2|C<4>}	C(C[5a]C[5a]O[5a])(C[5]C[5]N[5]C)(OH)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,2|C<4>}	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	109.7570	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	3:4:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH)	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH){1|H<1>,3|C<3>}	C(C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]C[5]C)(COO)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	104.1535	0.911	2	104.1535	0.831	2	104.1535	0.831	2	104.1535	0.831	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2{1|N<2>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]N[6a])(C[5]C[5a]N[5])(C[5]C[5]CC){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	113.6555	0.525	2	113.6555	0.276	2	113.6555	0.276	2	112.3187	2.213	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2	C(C[5]N[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC)	C[5](N[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(CH3)2{1|N<2>,1|O<1>,4|C<3>}	C(C[5]N[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]C[6a])(C[6a]C[6a]N[6a])(C[5]N[5,6a]CC){1|H<1>,6|C<3>}	111.8732	1.446	6	111.8732	2.091	6	111.8732	2.091	6	112.3187	2.213	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,5]N[5])(C[5]N[5]O)(CH3)2{1|P<3>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|N<3>,3|C<3>}	108.8295	0.900	2	108.8295	0.810	2	109.0550	1.391	6	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,6a]C[5,5])(C[5]N[5]O)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|C<4>,3|C<3>}	109.1677	1.413	4	109.1677	1.998	4	109.0550	1.391	6	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	109.4960	1.454	2	109.3942	2.298	8	109.3942	2.298	8	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	109.5932	1.817	4	109.3942	2.298	8	109.3942	2.298	8	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)2{1|O<1>,3|C<3>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){4|C<3>}	108.8945	1.842	2	109.3942	2.298	8	109.3942	2.298	8	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3)	C(C[5]C[5,6a]C[5]C)(F)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(F)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	109.8265	0.435	2	109.8265	0.189	2	109.8265	0.189	2	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]B[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|B<6>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]B[5x3,5x5,20x6]C[5,6a])(C[5]C[5,6a]CC)(H){1|C<6>,2|C<3>,4|B<6>}	110.9505	0.073	2	110.9505	0.005	2	111.1536	0.580	10	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	111.2044	0.854	8	111.2044	0.730	8	111.1536	0.580	10	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](N[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(O){4|C<3>}	108.9195	0.484	2	108.9195	0.235	2	108.9195	0.235	2	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,3|C<4>}	109.2754	0.901	8	108.9362	0.912	20	108.9362	0.912	20	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<4>,3|C<3>}	108.7101	0.959	12	108.9362	0.912	20	108.9362	0.912	20	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2{2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){2|H<1>,3|C<4>}	111.2375	0.405	2	111.2375	0.164	2	111.2375	0.164	2	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	110.8525	0.291	2	110.8525	0.084	2	110.8525	0.084	2	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[5,5]C)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2{1|O<2>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[5,5]C)(C[5]C[5]CC)(O){1|C<4>,1|O<1>,1|O<2>}	110.8300	2.202	4	110.8300	4.847	4	108.9462	5.131	21	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){4|C<3>}	109.1345	3.951	2	109.1345	15.607	2	108.9462	5.131	21	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|N<2>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|N<2>,1|O<1>,2|C<3>}	110.2735	0.803	2	110.2735	0.644	2	108.9462	5.131	21	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]C[5])(C[5]N[5]O)(CH3)2{1|N<2>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){4|C<3>}	108.1600	2.283	2	108.1600	5.210	2	108.9462	5.131	21	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	106.3010	1.039	3	106.3010	1.079	3	108.9462	5.131	21	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2{3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	107.9955	0.278	2	107.9955	0.077	2	108.9462	5.131	21	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3){1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	108.1713	1.979	4	108.1713	3.915	4	108.9462	5.131	21	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]O)2(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.9180	0.791	2	110.9180	0.625	2	108.9462	5.131	21	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2{2|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){1|C<2>,1|H<1>,2|C<3>}	109.9257	1.705	4	109.9412	2.063	6	109.9412	2.063	6	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)2{2|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(O){2|C<3>,2|H<1>}	109.9720	1.263	2	109.9412	2.063	6	109.9412	2.063	6	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C[6])(C[5]N[5]CC)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]C[6])(C[5]N[5]CC)(H){1|H<1>,1|O<1>,1|S<2>,3|C<4>}	113.6430	0.221	2	113.6430	0.049	2	113.6430	0.049	2	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]O)(N[5]N[5]S)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(N[5]N[5]S)(CH3)2{1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]N[5])(C[5]N[5]CC)(O){1|S<4>,2|C<3>}	109.5255	1.914	2	109.5255	3.664	2	109.5255	3.664	2	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,2|C<3>,2|H<1>}	109.3410	0.503	4	109.3410	0.253	4	109.4831	1.212	8	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]N[5,5]O)(N[5]C[5,5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	110.5500	1.904	2	110.5500	3.623	2	109.4831	1.212	8	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]N[5,5]O)(N[5]C[5,5]S)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O)	C[5](C[5]N[5,5]O)(N[5]C[5,5]S)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]CC)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	108.7005	0.719	2	108.7005	0.517	2	109.4831	1.212	8	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|H<1>,2|C<3>,2|C<4>}	110.4380	0.458	2	110.1145	1.972	6	110.0771	1.598	12	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|C<4>,2|C<3>,2|H<1>}	109.9528	1.764	4	110.1145	1.972	6	110.0771	1.598	12	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	110.0397	1.241	6	110.0397	1.540	6	110.0771	1.598	12	109.6317	2.732	103	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:O[5]-2:	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O[5]C[5,5])	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2{2|C<4>,2|N<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O[5]C[5,5]){1|C<3>,1|N<3>,1|O<1>,5|C<4>}	115.3635	5.339	2	115.3635	28.509	2	115.3635	28.509	2	114.4949	4.526	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	114.4057	0.679	3	114.4057	0.461	3	114.2053	0.233	6	114.4949	4.526	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CH3)2{3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	114.0070	0.008	2	114.0070	0.000	2	114.2053	0.233	6	114.4949	4.526	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	114.0010	0.000	1	114.0010	0.000	1	114.2053	0.233	6	114.4949	4.526	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){1|H<1>,8|C<3>}	113.3950	4.315	2	112.9020	7.312	4	112.9020	7.312	4	111.7203	2.160	32	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(CH3)2{1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(C[5]C[5]2){2|C<4>,7|C<3>}	112.4090	1.532	2	112.9020	7.312	4	112.9020	7.312	4	111.7203	2.160	32	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCH){1|C<3>,1|C<4>,2|O<1>}	112.4540	0.231	2	112.4540	0.053	2	112.0837	0.844	16	111.7203	2.160	32	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CC[5]H){1|C<3>,1|C<4>,2|O<1>}	112.9190	1.421	2	112.9190	2.020	2	112.0837	0.844	16	111.7203	2.160	32	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-3:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CHH){1|C<3>,1|C<4>,2|O<1>}	112.2368	0.787	8	112.2368	0.619	8	112.0837	0.844	16	111.7203	2.160	32	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-3:	C[5](C[5]C[5,5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC)	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCC){1|C<3>,3|C<4>}	111.1748	0.602	4	111.1748	0.363	4	112.0837	0.844	16	111.7203	2.160	32	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5a]C[5])2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5a]C[5])2(CH3)2{2|C<3>,2|H<1>,2|O<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5a]C[5a]O[5a])(C[5]C[5]CC)(C[5]C[5]H){2|H<1>,3|C<3>}	111.0555	0.933	8	111.0555	0.871	8	111.0555	0.871	8	111.7203	2.160	32	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])2(CH3)2{2|H<1>,4|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|C<3>,3|H<1>}	110.4150	1.654	4	110.4150	2.737	4	110.4150	2.737	4	111.7203	2.160	32	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CCHH){1|C<3>,1|C<4>,2|O<1>}	112.1565	1.057	2	112.1565	1.118	2	111.2917	2.050	12	110.8331	5.926	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<3>,1|C<4>,2|O<1>}	112.2237	0.911	4	112.0695	0.569	6	111.2917	2.050	12	110.8331	5.926	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)(C[5]C[5,5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	111.7610	0.257	2	112.0695	0.569	6	111.2917	2.050	12	110.8331	5.926	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5](C[5]C[5,5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	109.9880	1.114	2	109.6925	1.078	4	111.2917	2.050	12	110.8331	5.926	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:C-4:	C[5](C[5]C[5,5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,5]C)2(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CC)(CH3){1|C<4>,3|C<3>}	109.3970	1.281	2	109.6925	1.078	4	111.2917	2.050	12	110.8331	5.926	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:C-4:	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN)	C[5](C[5]C[5,6]C)(C[5]C[5,6]H)(CH3)2{2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(CHHN){2|C<4>,3|H<1>}	111.4620	0.144	2	111.4620	0.021	2	111.4620	0.021	2	110.8331	5.926	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	3:4:4:	N[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-4:	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]CC)(CH3)	C[5](N[5]C[6a]Ga[5])(C[5]N[5]C)(CH3)2{2|C<4>,3|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](N[5]C[6a]Ga[5])(C[5]N[5]CC)(CH3){2|C<4>,3|C<3>}	107.4525	6.336	2	107.4525	40.150	2	107.4525	40.150	2	110.8331	5.926	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	106.9180	0.000	1	106.9180	0.000	1	108.7164	2.035	5	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	109.4100	0.146	2	109.4100	0.021	2	108.7164	2.035	5	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	108.9220	1.959	2	108.9220	3.836	2	108.7164	2.035	5	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3){1|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<4>,1|H<1>}	105.8020	0.000	1	105.8020	0.000	1	107.1165	3.456	2	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(C[5]O[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]N[5])(O){1|C<3>}	108.4310	0.000	1	108.4310	0.000	1	107.1165	3.456	2	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3){2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,2|C<4>}	107.5480	0.000	1	107.5480	0.000	1	108.2273	1.207	10	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3){2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,2|C<4>}	108.9160	0.000	1	108.9160	0.000	1	108.2273	1.207	10	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	110.0580	0.000	1	107.9672	1.662	6	108.2273	1.207	10	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,2|C<4>}	107.5490	0.875	5	107.9672	1.662	6	108.2273	1.207	10	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)2{2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,2|H<1>}	109.0030	0.078	2	109.0030	0.006	2	108.2273	1.207	10	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:1:	N[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3)	C(C[5]N[5,6]C[5]C)(H)3	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(O)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3){1|C<3>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]C)(H)3	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(O){1|C<3>,2|C<4>}	112.1430	0.000	1	112.1430	0.000	1	112.1430	0.000	1	108.4573	2.382	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCC){2|C<3>}	112.8290	0.811	10	112.8290	0.658	10	111.7935	2.403	22	112.0397	2.315	34	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH){2|C<3>}	111.1645	1.485	10	111.1645	2.205	10	111.7935	2.403	22	112.0397	2.315	34	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CCH){2|C<3>}	109.7605	1.322	2	109.7605	1.747	2	111.7935	2.403	22	112.0397	2.315	34	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CCH)	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CCH){1|C<3>}	111.0905	0.549	2	112.2205	2.035	6	112.2205	2.035	6	112.0397	2.315	34	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CCH)	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CCH){1|C<4>}	112.7855	1.419	4	112.2205	2.035	6	112.2205	2.035	6	112.0397	2.315	34	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:N-3:	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(NHN)	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2{1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(NHN){1|H<1>,1|O<1>}	113.7320	2.475	2	113.7320	6.125	2	113.7320	6.125	2	112.0397	2.315	34	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:3:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5]O[5]C)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(CC[6a]N)	C[5](C[5]O[5]C)(N[5]C[5]C)(CH3)2{1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(CC[6a]N){1|C<4>,1|O<1>}	112.2765	0.847	4	112.2765	0.718	4	112.2765	0.718	4	112.0397	2.315	34	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	109.9660	0.000	1	109.9660	0.000	1	110.8037	0.513	7	111.4540	2.721	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	110.9433	0.672	6	110.9433	0.452	6	110.8037	0.513	7	111.4540	2.721	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C[5]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[5]C[5]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[5]C[5]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.0042	1.237	4	112.0042	1.530	4	112.0042	1.530	4	111.4540	2.721	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C[6]-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(C[6]C[6]2H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	112.1220	1.017	6	112.1220	1.034	6	112.1220	1.034	6	111.4540	2.721	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3){1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	110.7518	1.586	4	110.7518	2.515	4	111.3888	3.363	16	111.4540	2.721	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>}	110.5630	0.513	4	111.6011	3.703	12	111.3888	3.363	16	111.4540	2.721	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)2(CH3)2{1|Pd<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|Pd<4>,1|C<4>}	112.1201	2.187	8	111.6011	3.703	12	111.3888	3.363	16	111.4540	2.721	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH)	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2{1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(CCHH){1|C<3>,1|H<1>}	111.1470	4.705	2	111.1470	22.138	2	111.1470	22.138	2	111.4540	2.721	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]C)(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]H)(CH3)2{1|S<4>,3|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]C)(H){1|C<3>,1|N<3>}	109.5230	0.301	2	109.5230	0.091	2	109.5230	0.091	2	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]O)(O){1|C<3>,1|N<3>}	110.3375	1.148	8	110.3375	1.318	8	110.3375	1.318	8	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H){2|C<3>}	112.8950	0.000	1	112.8950	0.000	1	112.3515	0.591	2	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[5]N[5,6a]H)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[5]N[5,6a]H)(H){1|C<3>,1|N<2>}	111.8080	0.000	1	111.8080	0.000	1	112.3515	0.591	2	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]H)(CH3)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]O)(H){2|C<3>}	112.3375	1.221	2	112.3375	1.491	2	112.3375	1.491	2	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.2232	1.294	6	108.5069	1.919	14	108.2103	1.612	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.7198	1.499	8	108.5069	1.919	14	108.2103	1.612	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.3840	0.000	1	109.3840	0.000	1	108.2103	1.612	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.1265	0.136	2	107.1265	0.019	2	108.2103	1.612	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.6720	1.731	3	107.6720	2.995	3	108.2103	1.612	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O){2|C<3>}	106.9040	0.000	1	106.9040	0.000	1	108.2103	1.612	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.1080	1.228	2	108.1080	1.507	2	108.2103	1.612	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.5190	0.000	1	108.5190	0.000	1	108.2103	1.612	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.0395	0.351	2	108.0395	0.124	2	108.2103	1.612	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:S-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S){2|C<3>}	107.8440	0.000	1	107.8440	0.000	1	107.8440	0.000	1	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:P-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3)	C(C[5]C[5,6a]C[5]P)(H)3	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]P)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[6a]2S)(CH3){1|H<1>,1|P<4>,2|C<3>}	C(C[5]C[5,6a]C[5]P)(H)3	C[5](C[5]C[5,6a]CP)(C[5]C[5,6a]P)(H){2|C<3>}	113.7270	0.000	1	113.7270	0.000	1	113.7270	0.000	1	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:Br-1:	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(Br)	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(Br){1|C<3>,1|H<1>}	111.5825	0.914	2	111.5825	0.836	2	111.5825	0.836	2	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]Br)(C[5]C[5]H)(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|Br<1>,1|H<1>}	111.5360	2.082	2	111.5360	4.334	2	111.6500	2.206	3	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3){1|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]C)(H){1|O<1>}	111.8780	0.000	1	111.8780	0.000	1	111.6500	2.206	3	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|H<1>}	106.2630	0.000	1	106.2630	0.000	1	110.1477	2.992	21	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|N<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]N)(O){1|C<3>,1|O<1>}	111.3330	0.164	2	111.3330	0.027	2	110.1477	2.992	21	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]2)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]2)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	111.9790	1.834	2	111.9790	3.364	2	110.1477	2.992	21	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	108.9850	0.000	1	109.7105	1.053	2	110.1477	2.992	21	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|H<1>,1|O<1>}	110.4360	0.000	1	109.7105	1.053	2	110.1477	2.992	21	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<3>,1|O<1>}	110.8230	0.000	1	110.2941	2.361	8	110.1477	2.992	21	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|O<1>}	111.5040	0.920	3	110.2941	2.361	8	110.1477	2.992	21	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|H<1>,1|N<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|N<3>,1|O<1>}	109.2545	1.395	4	110.2941	2.361	8	110.1477	2.992	21	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]N)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|H<1>,1|N<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]N)(O){1|H<1>,1|O<1>}	109.5977	0.539	4	109.5977	0.290	4	110.1477	2.992	21	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)2(CN[5]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)2(CN[5]HH)(CH3){2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<4>,1|O<1>}	110.0250	3.407	2	110.0250	11.607	2	110.1477	2.992	21	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<1>}	110.5835	1.468	4	110.6487	2.786	10	110.4990	3.158	16	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|O<1>,2|H<1>}	110.6922	1.928	6	110.6487	2.786	10	110.4990	3.158	16	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(O){1|C<4>,1|H<1>,1|O<1>}	111.1935	2.162	2	111.1935	4.673	2	110.4990	3.158	16	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5]H)(O)	C[5](C[5]N[5]N)(C[5]N[5]O)(CH3)2{1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5]H)(O){1|N<3>}	108.9420	0.047	2	108.9420	0.002	2	110.4990	3.158	16	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5]H)(O)	C[5](C[5]N[5]O)2(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5]H)(O){1|C<4>,1|O<1>}	110.6130	3.400	2	110.6130	11.558	2	110.4990	3.158	16	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CH3)2{1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|C<3>,1|O<1>}	110.2293	0.593	4	110.2293	0.351	4	112.5418	1.653	28	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<2>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	112.5602	0.156	4	112.9272	0.809	24	112.5418	1.653	28	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(H){1|O<1>,2|C<4>}	113.0006	0.971	20	112.9272	0.809	24	112.5418	1.653	28	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|H<1>,1|S<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<4>,1|S<1>}	110.2650	1.374	4	110.2650	1.888	4	110.2886	2.212	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Co)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|Co<6>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Co)(O){1|C<3>,1|H<1>}	109.8145	0.340	2	109.8145	0.116	2	110.2886	2.212	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>,2|H<1>}	109.6550	0.000	1	109.6550	0.000	1	110.2886	2.212	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Mn)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|Mn<6>,1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Mn)(O){1|C<3>,1|H<1>}	110.6740	0.443	2	110.6740	0.196	2	110.2886	2.212	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	116.1010	0.000	1	116.1010	0.000	1	110.2886	2.212	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	109.0290	0.000	1	109.0290	0.000	1	110.2886	2.212	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	109.8090	0.000	1	109.8090	0.000	1	110.2886	2.212	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	110.1305	0.583	4	110.1112	1.290	6	110.2886	2.212	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|C<4>,1|N<2>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|N<2>}	110.0725	2.329	2	110.1112	1.290	6	110.2886	2.212	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CH3)2{1|N<2>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]N)(O){1|H<1>,1|O<1>}	110.0256	0.876	8	110.0256	0.768	8	110.2886	2.212	26	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:1:	N[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5]C[5]Br)(C[5]N[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Br)(O)	C[5](N[5]C[5]Br)(C[5]N[5]O)(CH3)2{1|Br<1>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]Br)(O){1|Br<1>,1|O<1>}	110.2548	0.339	4	110.2548	0.115	4	110.2548	0.115	4	110.4581	3.977	142	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:2:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5a]-3:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5])(CH3)2{1|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(C[5a]C[5a]2)(N[5]C[5,6a]){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	111.9040	1.233	2	111.9040	1.521	2	111.9040	1.521	2	112.3784	2.105	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-2:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(OC)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(OC){2|C<3>}	110.0495	1.061	2	110.0495	1.127	2	110.0495	1.127	2	112.3784	2.105	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(CC)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(CC){1|O<1>,2|C<4>}	112.5725	0.573	4	112.5725	0.328	4	112.5725	0.328	4	112.3784	2.105	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:S-2:	C[5](C[5]C[5]S)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(SC)	C[5](C[5]C[5]S)(N[5]C[5]O)(CH3)2{3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]C)(SC){1|O<1>,2|C<4>}	113.1400	0.820	2	113.1400	0.673	2	113.1400	0.673	2	112.3784	2.105	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:N[5]-2:	C[5](C[5]N[5]2)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]2)(N[5]C[5])	C[5](C[5]N[5]2)(N[5]C[5]O)(CH3)2{1|C<3>,3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]2)(N[5]C[5]){1|N<3>,1|O<1>,1|S<1>,2|H<1>,3|C<4>}	114.5530	0.267	2	114.5530	0.071	2	114.5530	0.071	2	112.3784	2.105	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:2:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:Se-2:	C[5](C[5]N[5]Se)(N[5]C[5]C)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(SeC[6a])	C[5](C[5]N[5]Se)(N[5]C[5]C)(CH3)2{1|O<1>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(SeC[6a]){3|C<4>}	111.8575	0.620	2	111.8575	0.385	2	111.8575	0.385	2	112.3784	2.105	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	110.2400	0.926	2	110.2400	0.858	2	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCC){2|C<3>}	110.7740	8.294	2	110.7740	68.796	2	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	111.6285	1.544	122	111.6285	2.383	122	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	111.3650	1.508	8	111.3650	2.275	8	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[5]I){2|C<3>}	112.3370	1.795	4	112.3370	3.223	4	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[6]H){2|C<3>}	112.3005	0.738	4	112.3005	0.544	4	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CHN){2|C<3>}	111.3747	0.115	3	111.3747	0.013	3	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Cl<1>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	110.6225	0.409	4	111.3448	3.217	10	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCC){2|C<3>}	111.8263	2.235	6	111.3448	3.217	10	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCH){2|C<3>}	110.5785	0.449	2	110.5785	0.202	2	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCN)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CCN){2|C<3>}	111.8438	2.699	4	111.8438	7.282	4	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4]H){2|C<3>}	110.4310	1.225	8	110.4310	1.502	8	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4a]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(CC[4a]H){2|C<3>}	110.1400	2.145	2	110.1400	4.603	2	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]Pd)(CCC)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Pd<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]Pd)(CCC){2|C<3>}	112.0169	3.320	12	112.0169	11.020	12	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]Pd)(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|Pd<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]Pd)(CCH){2|C<3>}	110.8280	1.464	6	110.8280	2.144	6	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CCH){2|C<3>}	109.9449	1.013	18	109.9449	1.026	18	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	109.7595	0.301	2	109.7595	0.090	2	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4a]H){2|C<3>}	109.6775	0.738	10	109.6775	0.544	10	111.2990	3.269	219	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(C[5]C[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|O<2>}	112.5355	0.023	2	112.5355	0.001	2	112.1260	3.557	7	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCH)	C[5](C[5]C[5]C)(C[5]N[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCH){1|C<3>,1|O<1>}	112.4715	3.859	2	112.4715	14.889	2	112.1260	3.557	7	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]H)(CN[6]O)	C[5](C[5]C[5]C)(C[5]O[5]C)(CH3)2{1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]H)(CN[6]O){1|C<4>}	111.9500	2.116	2	111.9500	4.476	2	112.1260	3.557	7	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H)	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H){1|C<4>,1|O<2>}	110.9680	0.000	1	110.9680	0.000	1	112.1260	3.557	7	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5]-3:C[6a]-3:C[5]-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[6a]-3:	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(C[6a]C[6a]2){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	109.9510	0.000	1	109.9510	0.000	1	109.9510	0.000	1	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(CNO)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(CNO){1|O<1>,2|C<4>}	113.5632	1.174	9	113.5632	1.379	9	113.4721	0.743	20	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:3:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(COO)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]H)(COO){1|O<1>,2|C<4>}	113.3975	0.543	11	113.3975	0.295	11	113.4721	0.743	20	111.4929	3.414	247	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	110.2564	1.694	12	110.2564	2.869	12	109.8718	3.064	16	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]N[5]C)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3){2|C<3>}	108.7177	1.560	4	108.7177	2.433	4	109.8718	3.064	16	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	113.6190	0.000	1	113.6190	0.000	1	112.0235	1.929	6	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>}	112.5610	0.000	1	112.5190	0.004	2	112.0235	1.929	6	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>}	112.4770	0.000	1	112.5190	0.004	2	112.0235	1.929	6	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	109.7400	0.000	1	109.7400	0.000	1	112.0235	1.929	6	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CSmOO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(CSmOO)(CH3){2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<4>}	111.8720	1.160	2	111.8720	1.345	2	112.0235	1.929	6	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5](C[5]N[5]C)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5]Pd)(CCHH)	C[5](C[5]N[5]C)2(CH3)2{1|Pd<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]N[5]Pd)(CCHH){1|C<4>}	111.0616	2.169	8	111.0616	4.703	8	111.0616	4.703	8	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Ga-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaCl2Rh)(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaCl2Rh)(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	116.8425	1.225	2	116.8425	1.502	2	116.1467	1.089	6	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:Ga-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(GaRu3)(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(GaRu3)(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	115.7987	0.911	4	115.7987	0.831	4	116.1467	1.089	6	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:In-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(InCl2Rh)(CH3)	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(InCl2Rh)(CH3){2|C<4>}	C(C[5]C[5]2In)(H)3	C[5](C[5]C[5]InC)(C[5]C[5]C)(CH3){2|C<4>}	120.3995	0.544	4	120.3995	0.296	4	120.3995	0.296	4	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:P-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(PCOW)(CH3)	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(PCOW)(CH3){2|C<4>}	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	113.5170	0.466	4	113.5170	0.217	4	113.6792	0.198	6	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-3:P-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(PHOW)(CH3)	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)2(PHOW)(CH3){2|C<4>}	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	114.0035	0.158	2	114.0035	0.025	2	113.6792	0.198	6	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|S<2>,2|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(C[5]C[5]S)(CHHO){1|O<1>,2|C<4>}	113.5575	0.612	2	113.5575	0.374	2	113.5575	0.374	2	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]H)(CH3){1|C<3>,1|O<3>}	108.5883	12.416	2	108.5883	154.166	2	111.3414	61.800	4	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:3:4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3){1|C<3>,1|O<1>}	114.0945	0.957	2	114.0945	0.915	2	111.3414	61.800	4	112.5311	14.811	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5,5a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(O)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]O)(CH3)2{2|C<3>,3|H<1>}	C(C[5]C[5,5a]C[5]C)(H)3	C[5](C[5]C[5,5a]CC)(C[5]C[5,5a]HH)(O){1|C<3>,1|N<3>}	109.8390	0.534	8	109.8390	0.286	8	109.8390	0.286	8	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CH3)2{1|O<2>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	110.8025	1.532	4	110.8025	2.347	4	110.6486	5.431	16	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]2C)(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	112.0040	0.716	2	112.0040	0.512	2	110.6486	5.431	16	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]2H)(C[5]C[5]CC)(O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	112.7140	0.000	1	112.7140	0.000	1	110.6486	5.431	16	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	111.5140	0.789	2	111.2790	1.758	7	110.6486	5.431	16	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	111.1850	1.563	5	111.2790	1.758	7	110.6486	5.431	16	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]O[5])(C[5]C[5,5]O)(CH3)2{2|C<4>,2|N<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]CC)(O){2|C<3>,4|C<4>}	105.7465	2.116	2	105.7465	4.479	2	110.6486	5.431	16	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	111.6780	1.083	2	111.2105	0.689	4	110.9075	9.184	8	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6,6]O)2(CC[6a]HH)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.7430	0.143	2	111.2105	0.689	4	110.9075	9.184	8	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6,6]O)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6,6]O)2(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	110.5625	5.348	2	110.6045	20.495	4	110.9075	9.184	8	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6,6]O)2(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6,6]O)2(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CC)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	110.6465	5.734	2	110.6045	20.495	4	110.9075	9.184	8	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	111.3990	0.000	1	111.3990	0.000	1	110.6207	3.722	21	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	113.0160	0.646	2	113.0160	0.418	2	110.6207	3.722	21	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)2(O){2|C<4>}	107.2540	0.000	1	107.2540	0.000	1	110.6207	3.722	21	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|H<1>}	106.9820	0.000	1	106.9820	0.000	1	110.6207	3.722	21	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|H<1>,1|O<1>}	110.6292	0.756	4	110.6292	0.572	4	110.6207	3.722	21	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CH)(O){1|O<1>,1|O<2>}	110.1955	1.158	2	110.1955	1.340	2	110.6207	3.722	21	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(O)	C[5](C[5]C[5]O)(C[5]N[5]O)(CH3)2{3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(O){1|H<1>,1|O<1>}	110.5818	2.489	6	110.5818	6.195	6	110.6207	3.722	21	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]CC)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]2H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	111.1030	0.000	1	111.1030	0.000	1	110.6207	3.722	21	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CH3){1|C<4>,3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|H<1>,1|O<1>}	112.2490	0.000	1	112.2490	0.000	1	110.6207	3.722	21	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CHHO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]O)2(CHHO)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,1|O<1>}	110.8080	0.096	2	110.8080	0.009	2	110.6207	3.722	21	110.5544	4.375	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:2:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-4:N[5]-2:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2	C(C[5]C[5,6a]C[5]C)(H)3	C[5](C[6]C[5,6]C[6]H)(C[5]C[5,6a]CC)(N[5]C[5,6a])	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6]N[5])(CH3)2{2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(H)3	C[5](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>}	110.8805	0.844	2	110.8805	0.712	2	110.8805	0.712	2	110.8805	0.712	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	114.1470	0.000	1	114.1470	0.000	1	114.9673	1.012	3	113.1468	2.956	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.3775	1.008	2	115.3775	1.015	2	114.9673	1.012	3	113.1468	2.956	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(N[5]C[5]S)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CSiC)	C[5](C[5]C[5]C)(N[5]C[5]S)(CH3)2{1|C<4>,3|H<1>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CSiC){1|S<4>,2|H<1>}	111.5100	0.598	2	111.5100	0.358	2	111.5100	0.358	2	113.1468	2.956	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:3:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(N[5]C[5]O)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]C[6])(N[5]C[5]O)(CH3)2{1|S<2>,2|H<1>,3|C<4>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[6]C[6]S[6]H)(C[5]N[5]CC)(C[5]C[5]H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	113.3130	0.137	2	113.3130	0.019	2	113.3130	0.019	2	113.1468	2.956	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:1:1:1:	4:4:3:	N[5]-3:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-3:	C[5](N[5]C[6a]O[5])(C[5]C[5]N)(CH3)2	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CC)(NC[6a]O)	C[5](N[5]C[6a]O[5])(C[5]C[5]N)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]C[6a]O[5]H)(C[5]N[5]CC)(NC[6a]O){3|C<3>}	111.8865	1.648	2	111.8865	2.717	2	111.8865	2.717	2	113.1468	2.956	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:2:1:1:	4:2:1:	N[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3)	C(C[5]N[5,6]C[5]C)(OH)(H)2	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(O)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3){1|C<3>,1|O<1>,2|C<4>}	C(C[5]N[5,6]C[5]C)(OH)(H)2	C[5](C[5]N[5,6]CC)(O[5]C[5,6])(O){1|C<3>,2|C<4>}	106.6310	0.000	1	106.6310	0.000	1	106.6310	0.000	1	106.6310	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3)	C(C[5]C[5,6a]C[5]C)(CN)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CN)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.7840	0.000	1	109.7840	0.000	1	108.5550	3.021	2	109.9970	6.996	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.3260	0.000	1	107.3260	0.000	1	108.5550	3.021	2	109.9970	6.996	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:2:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO)	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CHHO){1|Cl<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(OH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.5300	0.000	1	107.5300	0.000	1	107.5300	0.000	1	109.9970	6.996	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:2:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2{3|H<1>}	C(C[5]C[5]N[5]C)(OC)(H)2	C[5](C[5]N[5]CC)(C[5]C[5]H)(H){1|C<3>,2|H<1>}	112.6725	0.633	2	112.6725	0.401	2	112.6725	0.401	2	109.9970	6.996	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:2:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CHHO)(CH3)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]O)2(CHHO)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,1|O<1>}	110.4120	0.414	2	110.4120	0.172	2	110.4120	0.172	2	110.4120	0.172	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:2:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-2:C-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	106.4957	2.860	3	106.4957	8.180	3	106.0820	6.138	4	106.0820	6.138	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:2:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-2:C-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN)	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CN)2(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	104.8410	0.000	1	104.8410	0.000	1	106.0820	6.138	4	106.0820	6.138	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	C(C[5]C[5]2C)(CC[5a]O)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5]2C)(CC[5a]O)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.4440	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	3:4:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3)	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CF3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5](C[5]C[5,6a]C[6a])(C[5]C[5,6a]CC)(H){4|C<3>}	112.4705	1.797	2	112.4705	3.228	2	112.4705	3.228	2	110.9968	12.660	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CCHH)2	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CCHH)2{2|C<3>}	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	111.2710	5.554	4	111.2710	30.852	4	111.2710	30.852	4	110.9968	12.660	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<3>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	108.8105	1.666	4	108.8105	2.774	4	108.8105	2.774	4	110.9968	12.660	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN)	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]O)2(CC[6a]HH)(CHHN){2|C<3>}	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	113.3470	0.583	2	113.3470	0.339	2	113.3470	0.339	2	110.9968	12.660	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2	C(C[5]C[5,6]C[5]C)(CCC)(H)2	C[5](C[5]C[5,6]CC)(O[5]C[5,6,6])(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]C)(CCC)(H)2	C[5](C[5]C[5,6]CC)(O[5]C[5,6,6])(O){1|C<3>,1|C<4>,1|O<2>}	103.7160	0.000	1	103.7160	0.000	1	103.7160	0.000	1	108.6666	2.364	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	111.4330	0.000	1	111.4330	0.000	1	109.5951	1.259	7	108.6666	2.364	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCC)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	108.9373	1.179	3	108.9373	1.389	3	109.5951	1.259	7	108.6666	2.364	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	109.6403	0.215	3	109.6403	0.046	3	109.5951	1.259	7	108.6666	2.364	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(S[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(S[5]C[5,6a])(O){2|C<3>}	108.8200	0.000	2	108.8200	0.000	2	108.8200	0.000	2	108.6666	2.364	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	108.6563	1.203	6	108.6563	1.447	6	108.7441	1.260	7	108.6666	2.364	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]HH)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	109.2710	0.000	1	109.2710	0.000	1	108.7441	1.260	7	108.6666	2.364	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(S[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(S[5]C[5,6a])(O){2|C<3>}	108.0523	0.207	3	108.0523	0.043	3	108.0523	0.043	3	108.6666	2.364	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2{1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(CCH)(H)2	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	108.1110	0.000	1	108.1110	0.000	1	108.1110	0.000	1	108.6666	2.364	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCF)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCF)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	114.0470	0.000	1	114.0470	0.000	1	114.0470	0.000	1	112.0090	2.448	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<3>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	111.4995	1.238	4	111.4995	1.533	4	111.4995	1.533	4	112.0090	2.448	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CCO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	113.4050	0.000	1	113.4050	0.000	1	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	112.2690	0.000	1	112.2690	0.000	1	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(COS)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(COS)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	105.6840	0.000	1	105.6840	0.000	1	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	106.4390	0.000	1	106.4390	0.000	1	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	110.2470	0.574	2	110.2470	0.330	2	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	111.3535	0.296	2	111.3535	0.088	2	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CClC)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CClC)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	110.6575	0.643	2	110.6575	0.413	2	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH)	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]CH)(CCHH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.5045	0.069	2	109.5045	0.005	2	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C(C[5]C[5,6a]C[5]C)(CHO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CHO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.5730	0.000	1	107.5730	0.000	1	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.1537	0.888	6	109.1537	0.789	6	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CC[6a]O)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	103.5910	0.000	1	103.5910	0.000	1	109.3704	5.332	20	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:S-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]S)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(S){2|C<3>}	112.5190	0.000	1	112.5190	0.000	1	112.5190	0.000	1	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5]C[5,6a]C[5])(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5a]C[5a]N[5a])(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	111.8130	0.000	1	111.8130	0.000	1	110.0648	1.067	5	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[5a]HH)2{1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[5a]N[5a]O[5a])(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.6277	0.386	4	109.6277	0.149	4	110.0648	1.067	5	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	110.6600	0.000	1	110.6600	0.000	1	108.7488	5.031	13	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.4560	0.000	1	108.4560	0.000	1	108.7488	5.031	13	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	106.7622	0.671	5	106.7622	0.450	5	108.7488	5.031	13	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCHH){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	110.5590	0.000	1	110.5590	0.000	1	108.7488	5.031	13	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	110.6590	0.000	1	110.6590	0.000	1	108.7488	5.031	13	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	111.6050	1.567	2	111.6050	2.455	2	108.7488	5.031	13	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.1895	2.962	2	108.1895	8.774	2	108.7488	5.031	13	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN)	C(C[5]C[5,6a]C[5]C)(NOO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CHHN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(NOO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	113.1100	0.000	1	113.1100	0.000	1	111.5460	4.892	2	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3)	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHN)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(NCH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.9820	0.000	1	109.9820	0.000	1	111.5460	4.892	2	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:3:1:	N[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CCHH)2	C(C[5]N[5,6]C[5]C)(COO)(H)2	C[5](C[5]N[5,6]CC)(N[5]C[5,6]H)(O)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CCHH)2{2|C<3>,2|H<1>}	C(C[5]N[5,6]C[5]C)(COO)(H)2	C[5](C[5]N[5,6]CC)(N[5]C[5,6]H)(O){2|C<3>}	111.9715	1.051	2	111.9715	1.106	2	111.9715	1.106	2	109.5583	4.901	44	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	107.2150	0.000	1	107.2150	0.000	1	107.8110	13.393	3	108.3473	5.441	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	104.4860	0.000	1	104.4860	0.000	1	107.8110	13.393	3	108.3473	5.441	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	C(C[5]C[5]2C)(CC[5a]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5]2C)(CC[5a]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>}	111.7320	0.000	1	111.7320	0.000	1	107.8110	13.393	3	108.3473	5.441	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN)	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]O)2(CC[6a]HH)(CHHN){4|H<1>}	C(C[5]C[5]2C)(NC[6a]C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<1>,2|H<1>}	108.7495	1.204	4	108.7495	1.449	4	108.7495	1.449	4	108.3473	5.441	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	110.6840	0.000	1	110.6840	0.000	1	110.2405	0.393	2	110.2405	0.393	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:1:1:	4:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	109.7970	0.000	1	109.7970	0.000	1	110.2405	0.393	2	110.2405	0.393	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:2:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	109.4400	0.000	1	109.4400	0.000	1	108.6412	2.208	6	108.6412	2.208	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:2:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){2|C<4>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,2|C<4>}	108.4814	1.603	5	108.4814	2.568	5	108.6412	2.208	6	108.6412	2.208	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:C-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)(CN)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(COO)2(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(COO)2(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	106.7680	0.000	1	106.7680	0.000	1	106.7680	0.000	1	107.8332	3.455	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.8015	1.135	2	108.8015	1.288	2	108.7540	0.651	3	107.8332	3.455	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(COO)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(COO)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.6590	0.000	1	108.6590	0.000	1	108.7540	0.651	3	107.8332	3.455	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:3:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]HH)(CC[6a]HN){2|C<3>,2|H<1>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	104.6550	0.000	1	104.6550	0.000	1	104.6550	0.000	1	107.8332	3.455	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:3:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HN)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NCH)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	109.3140	0.000	1	109.3140	0.000	1	109.3140	0.000	1	107.8332	3.455	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:4:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-3:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2	C(C[5]C[5]N[5]C)(CSiC)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(CSiC)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:4:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]O)(CC[6a]CH)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]CC)(O[5]C[5,6a])(O){2|C<3>}	111.2570	0.379	2	111.2570	0.144	2	111.2570	0.144	2	111.2570	0.144	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	103.6380	0.000	1	103.6380	0.000	1	105.7995	9.344	2	105.7995	9.344	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CH)(CH3){1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CH3)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]S)(O){2|C<3>}	107.9610	0.000	1	107.9610	0.000	1	105.7995	9.344	2	105.7995	9.344	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(CNO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(CNO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.4810	0.000	1	107.4810	0.000	1	109.8177	4.095	3	109.8177	4.095	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(COO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CCHH)(COO)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	110.9860	0.000	2	110.9860	0.000	2	109.8177	4.095	3	109.8177	4.095	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:3:4:4:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C[6a]-3:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3)	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(C[6a]C[6a]2)(CHHN)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.2005	0.163	2	108.2005	0.027	2	108.2005	0.027	2	108.2005	0.027	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	3:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	114.4160	0.000	1	114.4160	0.000	1	114.4160	0.000	1	114.4160	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[5,5]C[6a])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|C<4>}	110.3697	2.478	4	110.3697	6.142	4	110.6183	4.544	10	110.6183	4.544	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3){1|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	111.7123	1.883	4	111.7123	3.547	4	110.6183	4.544	10	110.6183	4.544	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)2(CCCH)(CCHH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]O)2(CCCH)(CCHH){2|C<3>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,3|C<3>}	108.9275	1.037	2	108.9275	1.076	2	110.6183	4.544	10	110.6183	4.544	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	3:4:2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2{1|H<1>,2|C<3>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	114.1325	3.248	2	114.1325	10.548	2	114.1325	10.548	2	114.1325	10.548	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:2:1:	C[5,6]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	C[5](C[5]C[5,6]CC)(O[5]C[5,6,6])(O)	C[5](C[5,6]C[5,6,6]C[6])(C[5]O[5]O)(CCHH)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,6]C[5]C)(CHHO)(H)2	C[5](C[5]C[5,6]CC)(O[5]C[5,6,6])(O){1|C<3>,1|C<4>,1|O<2>}	114.4310	0.000	1	114.4310	0.000	1	114.4310	0.000	1	110.5872	8.687	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:2:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	C[5](C[5]C[5,6a]CC)(S[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]S[5]O)(CC[6a]HH)(CCHH){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CN[5]CH)(H)2	C[5](C[5]C[5,6a]CC)(S[5]C[5,6a])(O){2|C<3>}	109.6070	0.000	1	109.6070	0.000	1	109.6070	0.000	1	110.5872	8.687	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CHHS)(H)2	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3){2|C<4>}	C(C[5]C[5]N[5]C)(CHHS)(H)2	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,2|C<4>}	107.3910	0.000	1	107.3910	0.000	1	109.1555	6.227	2	110.5872	8.687	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:2:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2{1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>,1|C<4>,1|H<1>}	110.9200	0.000	1	110.9200	0.000	1	109.1555	6.227	2	110.5872	8.687	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:2:4:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)2{1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a])(CH3){2|C<3>}	111.4780	0.113	2	111.4780	0.013	2	111.4780	0.013	2	113.4182	3.476	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CCHH)(CH3){1|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	114.3882	1.423	4	114.3882	2.024	4	114.3882	2.024	4	113.4182	3.476	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(CCHH)(CH3){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(H){2|C<3>}	106.8020	0.000	1	106.8020	0.000	1	106.8020	0.000	1	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH)	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCCH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CHHN)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]H)(O){2|C<3>}	110.0530	0.000	1	110.0530	0.000	1	109.9123	2.851	17	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CBr3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.2680	0.000	1	109.2680	0.000	1	109.9123	2.851	17	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC3)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	111.8260	1.169	3	111.8260	1.367	3	109.9123	2.851	17	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHN)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.8620	0.000	1	108.8620	0.000	1	109.9123	2.851	17	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	108.7160	0.000	1	108.7160	0.000	1	109.9123	2.851	17	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CH3){1|H<1>,3|C<3>}	C(C[5]C[5,6a]C[5]C)(CSeHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	110.1935	1.442	8	110.1935	2.081	8	109.9123	2.851	17	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH)	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CC[6a]CC)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CHHO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	107.2920	0.000	2	107.2920	0.000	2	109.9123	2.851	17	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:P-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3)	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	C[5](C[5]C[5,6a]CC)(C[5]N[5,6a]H)(H)	C[5](C[5,6a]N[5,6a]N[6a])(C[5]C[5]H)(CHHP)(CH3){1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(PC[6a]2O)(H)2	C[5](C[5]C[5,6a]CC)(C[5]N[5,6a]H)(H){1|C<3>,1|N<2>}	114.1450	0.000	1	114.1450	0.000	1	114.1450	0.000	1	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(SC[6a]OO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	110.6700	0.000	1	110.6700	0.000	1	111.0920	0.356	2	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3)	C(C[5]C[5,6a]C[5]C)(SNOO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CHHS)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(SNOO)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	111.5140	0.000	1	111.5140	0.000	1	111.0920	0.356	2	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(O)	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2{1|Fe<5>,1|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]C)(O){1|Fe<5>,1|C<3>}	110.0065	0.775	4	110.0065	0.600	4	110.0065	0.600	4	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]N[5]H)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCHH)2{1|H<1>,2|C<3>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]N[5]H)(O){1|C<3>}	109.6345	1.406	2	109.6345	1.978	2	109.6345	1.978	2	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	102.2040	0.000	1	102.2040	0.000	1	108.9091	5.613	13	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|C<4>,1|N<2>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|N<2>}	109.5140	2.527	2	109.1865	1.542	10	108.9091	5.613	13	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|C<4>,1|O<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|H<1>,1|O<1>}	109.1046	1.016	8	109.1865	1.542	10	108.9091	5.613	13	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)2{1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	110.8745	0.148	2	110.8745	0.022	2	108.9091	5.613	13	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:S-1:	C[5](C[5]N[5]S)(N[5]C[5]H)(CCHH)2	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]H)(S)	C[5](C[5]N[5]S)(N[5]C[5]H)(CCHH)2{1|H<1>,1|S<1>}	C(C[5]C[5]N[5]C)(CCHH)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]H)(S){1|H<1>,1|S<1>}	110.6945	0.289	2	110.6945	0.084	2	110.6945	0.084	2	109.7177	3.914	42	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CCHH)(H)2	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CC[4]H){2|C<3>}	111.8530	3.872	2	111.8530	14.993	2	111.8530	14.993	2	111.9263	3.192	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)2(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H)	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]H){1|C<4>,1|O<2>}	111.4460	0.000	1	111.4460	0.000	1	111.4460	0.000	1	111.9263	3.192	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5a]H)	C[5](C[5]C[5]O)(C[5]N[5]C)(CCHH)2{1|Fe<5>,1|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5a]H){1|C<3>,1|O<1>}	112.0830	1.128	4	112.0830	1.273	4	112.0830	1.273	4	111.9263	3.192	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|C<3>,1|C<4>,1|O<1>}	113.8080	0.000	1	113.8080	0.000	1	112.5870	2.982	2	112.5870	2.982	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)2(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]C)2(CCHH)(CH3){1|O<1>,1|O<2>}	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	111.3660	0.000	1	111.3660	0.000	1	112.5870	2.982	2	112.5870	2.982	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]O)(C[5]N[5]O)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CC)(O){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	111.4755	0.638	4	111.4755	0.407	4	111.4755	0.407	4	111.3495	0.398	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)2(O){2|C<4>}	111.6350	0.000	1	111.6350	0.000	1	111.0975	0.578	2	111.3495	0.398	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5])(C[5]C[5]O)(CCHH)2{1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>}	110.5600	0.000	1	110.5600	0.000	1	111.0975	0.578	2	111.3495	0.398	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:1:1:	4:4:3:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)2	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CSiC)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)2{1|C<4>,3|H<1>}	C(C[5]C[5]N[5]C)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CSiC){1|S<4>,2|H<1>}	112.1885	1.164	4	112.1885	1.355	4	112.1885	1.355	4	112.1885	1.355	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:2:1:	4:2:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3)	C(C[5]C[5]2C)(CCCH)(OH)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3){1|C<4>}	C(C[5]C[5]2C)(CCCH)(OH)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<4>,1|H<1>}	111.6720	0.000	1	111.6720	0.000	1	111.6720	0.000	1	111.6720	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:2:1:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO)	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CCHO){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CF3)(OH)(H)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	111.4553	35.799	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3)	C(C[5]C[5]2C)(CCCH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]O[5]C)(H)	C[5](C[5]C[5]H)(C[5]O[5]O)(CCHO)(CH3){1|C<4>}	C(C[5]C[5]2C)(CCCH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]O[5]C)(H){1|O<1>}	116.7900	0.000	1	116.7900	0.000	1	116.7900	0.000	1	111.4553	35.799	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:2:1:	4:3:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,1|H<1>}	104.9860	0.000	1	104.9860	0.000	1	104.9860	0.000	1	111.4553	35.799	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:2:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|H<1>,1|O<1>}	115.4710	0.000	1	115.1745	0.176	2	115.1745	0.176	2	115.1745	0.176	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:2:1:	4:3:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){1|O<1>,2|H<1>}	114.8780	0.000	1	115.1745	0.176	2	115.1745	0.176	2	115.1745	0.176	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:2:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CC[5]HO)(CH3){3|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|H<1>}	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	106.8960	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:3:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(CF3)(CCH)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	C(C[5]C[5]2C)(CF3)(CCH)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	110.4850	0.000	1	110.4850	0.000	1	109.1222	1.749	5	109.1222	1.749	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:3:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	108.7815	1.248	4	108.7815	1.558	4	109.1222	1.749	5	109.1222	1.749	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:3:1:	3:4:2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(CF3)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	C(C[5]C[5]2C)(CF3)(CCH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	117.2250	0.000	1	117.2250	0.000	1	117.2250	0.000	1	117.2250	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:3:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	C(C[5]C[5]2C)(CC[6a]HH)(CCH)(H)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	114.6720	0.433	4	114.6720	0.187	4	114.6720	0.187	4	114.6720	0.187	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:3:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3)	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHN)(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]N[5]C)(CCHH)(NCH)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|H<1>,1|O<1>}	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	110.5430	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:3:1:	4:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(CH3)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CH3)(CCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	105.5690	0.000	1	105.5690	0.000	1	105.5690	0.000	1	105.5690	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:3:1:	4:4:3:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(CH3)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[5]C[5]C)(C[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CH3)(CCH)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(CHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	111.8280	0.000	1	111.8280	0.000	1	111.8280	0.000	1	111.8280	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){3|C<3>}	108.1950	1.158	2	108.1950	1.342	2	110.3464	6.968	10	110.1825	6.567	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>}	110.5255	2.866	6	110.5255	8.216	6	110.3464	6.968	10	110.1825	6.567	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:4:1:	3:4:1:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)2(CCCH)(CCHH)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O)	C[5](C[5]N[5]O)2(CCCH)(CCHH){2|C<3>}	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](N[5]C[6a]N[5])(C[5]C[5]CC)(O){1|O<1>,3|C<3>}	111.9605	2.374	2	111.9605	5.635	2	110.3464	6.968	10	110.1825	6.567	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:4:1:	3:4:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)2{1|C<3>,1|O<1>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|H<1>,1|O<1>,2|C<3>}	108.5440	0.000	1	108.5440	0.000	1	108.5440	0.000	1	110.1825	6.567	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:4:1:	3:4:2:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]O)(CCCH)(CH3){3|C<3>}	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<1>,2|H<1>,3|C<3>}	116.1225	0.025	2	116.1225	0.001	2	116.1225	0.001	2	116.1225	0.001	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:4:1:	4:2:4:	C[5]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH)	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3)	C[5](C[5]N[5]C)(C[5]N[5]O)(CC[6a]HH)(CCCH){1|C<3>}	C(C[5]C[5]2C)(CCHH)(CF3)(H)	C[5](C[5]C[5]CC)(N[5]N[5])(CH3){1|C<3>,1|O<1>}	117.8150	2.439	6	117.8150	5.951	6	117.8150	5.951	6	117.8150	5.951	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]Co)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|Co<6>,1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]Co)(O){1|C<3>,1|H<1>}	114.7125	3.266	2	114.7125	10.668	2	112.3196	11.302	5	112.3196	11.302	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(O){1|C<3>,2|H<1>}	108.1530	0.000	1	108.1530	0.000	1	112.3196	11.302	5	112.3196	11.302	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:4:1:	4:3:1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]Mn)(O)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|Mn<6>,1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]Mn)(O){1|C<3>,1|H<1>}	112.0100	2.353	2	112.0100	5.538	2	112.3196	11.302	5	112.3196	11.302	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:3:4:4:	4:4:4:3:	4:3:1:	C[5,6a]-3:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:C-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3)	C(C[5]C[5,6a]C[5]C)(CH3)2(CCH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6a]C[5]C)(CH3)2(CCH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O){2|C<3>}	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	109.6570	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	3:4:2:1:	4:3:1:	C[5]-3:C-4:S[5]-2:H-1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[5a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]S[5]H)(OH)(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	108.1510	0.293	2	108.1510	0.086	2	108.1510	0.086	2	108.1510	0.086	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	3:4:2:1:	4:3:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H)	C[5](C[5]C[5]N)(CC[5a]HO)(O[5]C[5])(H){1|Cl<1>,1|O<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Cl)(NC[6a]H){1|O<1>}	114.2345	2.170	2	114.2345	4.709	2	114.2345	4.709	2	114.2345	4.709	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	3:4:3:2:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]H)(COO)(OH)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	3:4:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]H)(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	115.8910	0.000	1	115.8910	0.000	1	115.8910	0.000	1	115.8910	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:1:1:	3:4:1:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>,1|S<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(O){1|S<2>,2|C<3>}	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:1:1:	4:2:1:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<3>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(O[5]C[5])(O){1|C<3>}	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:1:1:	4:3:1:	C[5]-3:C-4:N[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]N)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(N[5]C[5])(H){1|C<4>,1|N<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]N)(O){1|C<4>}	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	111.2860	2.719	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:1:1:	4:3:1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(CC[6a]HH)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<3>,1|N<3>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]CH)(C[5]C[5]C)(O){1|N<3>}	112.4135	2.214	2	112.4135	4.902	2	112.4135	4.902	2	111.2860	2.719	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:1:1:	4:3:1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<4>,1|N<2>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|N<2>}	110.5120	0.000	1	110.0115	0.501	2	110.4415	1.585	4	111.2860	2.719	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:1:1:	4:3:1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|C<4>,1|O<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	109.5110	0.000	1	110.0115	0.501	2	110.4415	1.585	4	111.2860	2.719	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:1:1:	4:3:1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]H)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(S[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]S[5]CH)(N[5]C[5]H)(O){1|O<1>}	110.8715	1.875	2	110.8715	3.514	2	110.4415	1.585	4	111.2860	2.719	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:1:1:	4:3:2:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-2:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC){1|O<1>}	115.3230	0.000	1	115.3230	0.000	1	115.3230	0.000	1	115.3230	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:2:1:	4:2:1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:S-2:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(CC[6a]HS)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(SC[6a])(H)	C[5](C[5]S[5]CH)(N[5]C[5])(O)	C[5](C[5]N[5]O)(CC[6a]HS)(S[5]C[5])(H){1|S<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(SC[6a])(H)	C[5](C[5]S[5]CH)(N[5]C[5])(O){1|S<1>}	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.0220	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:2:1:	4:2:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHH)	C[5](C[5]O[5]C)(CC[6a]HO)(O[5]C[5])(H){1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]CH)(O[5]C[5])(CHH){1|O<1>}	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:2:1:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]HO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	114.7875	0.426	2	114.7875	0.182	2	114.7875	0.182	2	113.8067	2.977	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:2:1:	4:3:1:	C[5]-3:C-4:S[5]-2:H-1:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H)	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[6a]HO)(S[5]C[5])(H){1|C<4>,1|O<1>}	C(C[5]C[5]S[5]H)(C[6a]C[6a]2)(OH)(H)	C[5](C[5]S[5]CH)(N[5]C[5]C)(O){1|O<1>}	111.8450	0.000	1	111.8450	0.000	1	111.8450	0.000	1	113.8067	2.977	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:3:1:	3:3:4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)	C[5](C[5]C[6a]C[5])(CC[6a]2H)(O[5]C[5])(H){1|O<1>,3|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)2(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH){1|O<1>,2|H<1>,4|C<3>}	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	112.1980	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:3:1:	3:4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2)	C[5](C[5]C[5]N[5])(CC[6a]HN)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]N)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(N[5]C[5]2){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	115.0510	0.000	1	115.0510	0.000	1	115.0510	0.000	1	115.0510	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:3:1:	3:4:4:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH)	C[5](C[5]C[5]C)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[6a]C[5])(C[5]O[5]CH)(CCHH){1|O<1>,2|C<3>}	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	113.8090	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:3:1:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	114.0470	0.000	1	114.0470	0.000	1	114.0470	0.000	1	114.0470	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:3:2:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-3:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CO)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(COO)(OH)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	113.5329	1.117	8	113.5329	1.247	8	113.5329	1.247	8	113.5329	1.247	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:3:3:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:N-3:C-3:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CN)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(NC[6a]H)(COO)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	118.1220	0.000	1	118.1220	0.000	1	118.1220	0.000	1	118.1220	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:4:1:	3:4:3:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CH3)(H)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|Br<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]Br)(H){1|O<1>}	113.3860	0.000	1	113.3860	0.000	1	114.9200	1.959	7	114.9200	1.959	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	115.7550	1.762	2	115.7550	3.105	2	114.9200	1.959	7	114.9200	1.959	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	113.6050	0.000	1	113.6050	0.000	1	114.9200	1.959	7	114.9200	1.959	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]O[5]CH)(C[5]C[5]S)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(H){1|O<1>,1|S<2>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]O[5]CH)(C[5]C[5]S)(H){1|O<1>}	115.3130	1.164	3	115.3130	1.354	3	114.9200	1.959	7	114.9200	1.959	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:1:	4:3:4:2:	4:3:1:	C[5]-3:C-4:O[5]-2:H-1:	C[5]-4:C[6a]-3:P-4:O-2:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]OP)(O[5]C[5])(H){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]H)(C[6a]C[6a]2)(PO3)(OH)	C[5](C[5]O[5]CH)(C[5]C[5]H)(H){1|O<1>}	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:2:	4:3:1:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5]S[5]O)(CC[6a]HH)(N[5]C[5])(CC)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(S[5]C[5])(O)	C[5](C[5]S[5]O)(CC[6a]HH)(N[5]C[5])(CC){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(S[5]C[5])(O){1|C<3>}	108.9580	0.000	1	108.9580	0.000	1	108.9580	0.000	1	110.1865	3.018	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:2:	4:3:1:1:	4:2:1:	C[5]-3:C-4:N[5]-2:S-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(SC)	C(C[5]C[5]N[5]S)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CS)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(SC){1|C<3>}	C(C[5]C[5]N[5]S)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CS)(O[5]C[5])(O){1|C<3>}	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	110.1865	3.018	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:3:	4:3:1:1:	3:4:3:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O)	C[5](C[5]C[6a]C[5])(CC[6a]HH)(O[5]C[5])(COO){1|O<1>,1|O<2>,2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(C[5]C[5]O){1|O<1>,2|C<3>,2|H<1>}	114.1040	0.124	2	114.1040	0.015	2	114.1040	0.015	2	114.1040	0.015	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:3:	4:3:1:1:	4:3:1:	C[5]-3:C-4:O[5]-2:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH)	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CN)(N[5]C[5]S)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(O[5]C[5])(NCH){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]O[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CN)(N[5]C[5]S)(O){1|C<3>,1|H<1>}	110.6010	0.000	1	110.6010	0.000	1	110.6010	0.000	1	110.6010	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:3:	4:3:1:1:	4:3:3:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(COO)	C[5](C[5]C[5]C)(CC[6a]HH)(O[5]C[5])(COO){1|H<1>,2|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CC)(C[5]C[5]C)(COO){1|C<3>,1|H<1>}	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:3:	4:3:1:1:	4:4:3:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH)	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]C[5])(COO){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CC)(CHH){1|H<1>}	113.7120	0.000	1	113.7120	0.000	1	114.2160	0.508	2	114.2160	0.508	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:3:	4:3:1:1:	4:4:3:	C[5]-3:C-4:N[5]-2:C-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(C[5]N[5]HH)(CHH)	C[5](C[5]C[5]C)(CC[6a]HH)(N[5]N[5])(COO){2|H<1>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(C[5]N[5]HH)(CHH)	114.7200	0.000	1	114.7200	0.000	1	114.2160	0.508	2	114.2160	0.508	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:3:	4:3:4:1:	4:4:1:	C[5]-3:C-4:O[5]-2:C-3:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(COO){1|C<4>,3|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]C[5]HH)(C[5]O[5]CC)(O){1|C<4>,1|H<1>}	110.4873	1.598	3	110.4873	2.553	3	110.4873	2.553	3	110.4873	2.553	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	3:4:3:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(NC[6a]H)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	112.0870	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	3:4:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3)	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5a]C[5a]S[5a])(C[5]C[5]O[5]C)(CCHH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:1:1:1:	3:4:1:	C[5]-3:C-4:S[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3)	C(C[5]C[5]S[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]CC)(O)	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	C(C[5]C[5]S[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]S[5]CC)(O){1|S<1>,2|C<3>}	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	110.2540	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:1:1:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(H)3	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	109.8553	1.169	3	109.8553	1.366	3	109.8553	1.366	3	110.1932	1.125	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:1:1:1:	4:2:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	111.3750	0.000	1	111.3750	0.000	1	110.7000	0.911	2	110.1932	1.125	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:1:1:1:	4:2:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	110.0250	0.000	1	110.0250	0.000	1	110.7000	0.911	2	110.1932	1.125	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:1:1:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	111.3480	0.000	1	111.3480	0.000	1	111.6169	0.460	8	111.2007	1.961	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:1:1:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[5a]HN)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	112.2890	0.000	1	112.2890	0.000	1	111.6169	0.460	8	111.2007	1.961	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:1:1:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	111.4980	0.000	1	111.4980	0.000	1	111.6169	0.460	8	111.2007	1.961	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:1:1:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	111.5600	0.816	5	111.5600	0.666	5	111.6169	0.460	8	111.2007	1.961	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:1:1:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<3>}	107.8710	0.000	1	107.8710	0.000	1	107.8710	0.000	1	111.2007	1.961	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:1:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH){1|C<4>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<4>}	110.6880	0.772	2	110.6880	0.596	2	110.6880	0.596	2	110.6880	0.596	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:2:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NS)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	108.9790	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:3:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	108.3940	0.000	1	108.3940	0.000	1	108.3940	0.000	1	109.5836	0.550	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:3:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	109.5053	0.394	8	109.5053	0.155	8	109.5754	0.397	10	109.5836	0.550	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:3:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	110.9260	0.000	1	110.9260	0.000	1	109.5754	0.397	10	109.5836	0.550	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:3:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NP[5]H)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	108.7860	0.000	1	108.7860	0.000	1	109.5754	0.397	10	109.5836	0.550	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:3:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C[6a]-3:N-3:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]N[5]CC)(S[5]C[5])(O)	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|S<2>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(NHS)(H)	C[5](C[5]N[5]CC)(S[5]C[5])(O){1|S<2>}	109.0510	0.000	1	109.0510	0.000	1	109.0510	0.000	1	109.5836	0.550	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:3:1:	4:2:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCC)(H)	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	110.8360	0.000	1	110.8360	0.000	1	110.8360	0.000	1	109.5836	0.550	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:3:1:	4:2:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C[6a]-3:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(CC[6a]2H)(O[5]C[5])(CH3){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)2(H)	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	110.1350	0.000	1	110.1350	0.000	1	110.1350	0.000	1	109.5836	0.550	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:4:1:	3:4:1:	C[5]-3:C-4:S[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3)	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]CC)(O)	C[5](C[5]N[5]O)(CC[6a]CH)(S[5]C[5])(CH3){1|C<3>,1|S<1>}	C(C[5]C[5]S[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]S[5]CC)(O){1|S<1>,2|C<3>}	106.4020	0.000	1	106.4020	0.000	1	106.4020	0.000	1	106.4020	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:4:1:	4:2:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	112.8685	2.005	2	112.8685	4.019	2	112.8685	4.019	2	112.8685	4.019	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	112.1300	0.000	1	112.1300	0.000	1	112.3978	2.740	6	112.7561	3.182	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]O[5]CC)(C[5]C[5]C)(H){1|O<1>}	110.4360	0.000	1	110.4360	0.000	1	112.3978	2.740	6	112.7561	3.182	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	113.2107	1.969	3	113.2107	3.878	3	112.3978	2.740	6	112.7561	3.182	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]H)(CC[6a]CH)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CHHS)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	112.1890	0.000	1	112.1890	0.000	1	112.3978	2.740	6	112.7561	3.182	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:3:4:1:	4:3:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]O)(CC[6a]CH)(O[5]C[5])(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(O){1|C<3>}	114.9060	0.000	1	114.9060	0.000	1	114.9060	0.000	1	112.7561	3.182	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:4:1:1:	4:2:1:	C[5]-3:C-4:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH)	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(CC[6a]CH)(O[5]C[5])(CCHH){1|C<3>}	C(C[5]C[5]O[5]C)(CCHH)(H)2	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	113.9010	1.003	2	113.9010	1.005	2	113.9010	1.005	2	113.9010	1.005	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:4:3:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]HH)(N[5]C[5])(CCCH){1|C<4>}	C(C[5]C[5]N[5]C)(CCHH)(CCH)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<4>}	108.3130	2.117	2	108.3130	4.482	2	108.3130	4.482	2	108.3130	4.482	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:4:4:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]CH)(N[5]C[5])(CCCH){1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	110.1370	0.000	1	110.1370	0.000	1	110.4561	0.496	9	110.3329	0.592	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:4:4:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|C<3>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	110.4960	0.742	8	110.4960	0.550	8	110.4561	0.496	9	110.3329	0.592	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:2:4:	4:4:4:1:	4:2:1:	C[5]-3:C-4:N[5]-2:C-4:	C[5]-4:C-4:C-4:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH)	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(S[5]C[5])(O)	C[5](C[5]S[5]O)(CC[6a]HN)(N[5]C[5])(CCCH){1|S<2>}	C(C[5]C[5]N[5]C)(CH3)2(H)	C[5](C[5]N[5]CC)(S[5]C[5])(O){1|S<2>}	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	110.3329	0.592	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:1:	3:4:4:1:	3:4:2:	C[5]-3:C-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[6]-4:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|O<1>,2|C<3>,2|H<1>}	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	114.2990	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:1:	3:4:4:1:	4:2:1:	C[5]-3:C-4:C[5]-3:H-1:	C[6a]-3:C[5]-4:C[6]-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5])(CC[6a]C[6]H)(C[5]O[5]O)(H){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(C[6]C[6]2H)(H)	C[5](C[5]C[5]CH)(O[5]N[5])(O){1|C<3>}	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:1:	3:4:4:4:	4:3:1:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5,6a]C[5]H)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	111.9730	0.000	1	111.9730	0.000	1	111.9730	0.000	1	111.9730	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:1:	4:4:4:4:	4:3:1:	C[5,6a]-3:C-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:C-4:C-4:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H)	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[5,6]CC)(C[5]N[5]O)(H){2|C<3>,2|C<4>}	C(C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5,6a]C[5]H)(CH3)2	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(O){2|C<3>}	113.4650	0.239	2	113.4650	0.057	2	113.4650	0.057	2	113.4650	0.057	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:3:	4:3:3:1:	4:3:1:	C[5,6a]-3:C-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[6]-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O){2|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){4|C<3>}	112.3160	0.000	1	112.3160	0.000	1	112.3160	0.000	1	112.3160	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:3:	4:3:3:1:	4:3:3:	C[5,6a]-3:C-4:C[5]-3:C[5]-3:	C[5]-4:C[6a]-3:N[6]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2	C[5](C[5,6a]C[5,6a]C[6a])(CC[6a]N[6]H)(C[5]C[5]2)(C[5]N[5]O){2|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[6]C[6]2)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)2{1|N<3>,1|O<1>,4|C<3>}	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	112.4840	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	3:4:1:1:	3:4:1:	C[5]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O)	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O){1|C<4>,5|C<3>}	105.6855	0.831	2	105.6855	0.690	2	105.6855	0.690	2	105.6855	0.690	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	3:4:1:1:	3:4:2:	C[5]-3:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]C[5]2C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]2C)(N[5]N[5]){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	114.3405	0.701	2	114.3405	0.491	2	114.3405	0.491	2	114.3405	0.491	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:H-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3)	C(C[5]C[5,6a]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]H)(CH3){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(H)3	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a])(H){1|C<4>,4|C<3>}	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	108.3805	0.156	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:2:1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]O)(CH3){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(O){2|H<1>,4|C<3>}	108.1010	0.000	1	108.1010	0.000	1	108.1010	0.000	1	108.3805	0.156	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:2:3:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CC[6a]H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]C)(CH3){1|O<2>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(O[5]C[5])(CC[6a]H){2|C<3>,4|H<1>}	112.7920	0.000	1	112.7920	0.000	1	112.7920	0.000	1	112.7920	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>,2|S<2>}	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){2|C<3>,3|H<1>}	106.3350	0.000	1	106.5065	0.059	2	106.5065	0.059	2	107.4455	1.536	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(O){2|H<1>,4|C<3>}	106.6780	0.000	1	106.5065	0.059	2	106.5065	0.059	2	107.4455	1.536	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5,5]-3:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(N[5,5]C[5,5]2)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,5]HH)(C[5]N[5,5]O)(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(N[5,5]C[5,5]2)(O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	104.8040	0.000	1	104.8040	0.000	1	104.8040	0.000	1	107.4455	1.536	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3)	C(C[5]C[6a]C[5]2)(F)3	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5])(H)	C[5](C[6a]C[6a]2)(C[5]O[5]HN)(C[5]C[5]H)(CF3){2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]2)(F)3	C[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5])(H){1|H<1>,1|N<3>,4|C<3>}	107.7170	0.000	1	107.7170	0.000	1	107.7170	0.000	1	107.4455	1.536	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5]C)(O){1|O<1>,2|C<3>,2|H<1>}	108.6420	0.000	1	108.6420	0.000	1	107.9765	0.824	8	107.4455	1.536	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(O){1|O<1>,2|C<3>,2|H<1>}	108.1630	0.621	6	108.1630	0.386	6	107.9765	0.824	8	107.4455	1.536	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5]O)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]O)(CH3){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[5]O)(O){1|O<1>,2|C<3>,2|H<1>}	106.1920	0.000	1	106.1920	0.000	1	107.9765	0.824	8	107.4455	1.536	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]C)(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]N[5])(CH3){1|O<1>,3|C<3>,3|C<4>}	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	110.9235	3.284	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:3:4:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:B-4:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(BF3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]B)(CH3){2|C<4>,2|H<1>,3|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(N[5]C[6a]C[5])(BF3){2|C<4>,2|H<1>,4|C<3>}	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	110.9235	3.284	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,3|C<3>,4|H<1>}	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[6a]C[5]H)(O){4|C<3>,4|H<1>}	111.0340	0.000	1	111.0340	0.000	1	107.2300	8.851	7	107.2300	8.851	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O){2|H<1>,4|C<3>}	105.5550	0.000	1	105.5550	0.000	1	107.2300	8.851	7	107.2300	8.851	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	104.3325	0.185	2	104.6770	0.373	3	107.2300	8.851	7	107.2300	8.851	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,2|C<4>,2|H<1>}	105.3660	0.000	1	104.6770	0.373	3	107.2300	8.851	7	107.2300	8.851	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5a]C[5a]O[5a])(C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>,5|C<3>}	C(C[5]C[5a]C[5]2)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O){1|O<2>,2|H<1>,3|C<3>}	109.9950	0.492	2	109.9950	0.242	2	107.2300	8.851	7	107.2300	8.851	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:2:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH)	C(C[5]C[6a]C[5]2)(Cl)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(NN)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]N)(CClHH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(Cl)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(NN){2|C<3>,4|H<1>}	108.8075	7.783	2	108.8075	60.577	2	108.8075	60.577	2	108.8075	60.577	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:1:1:1:	4:4:3:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CC[6a]Cl)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(C[5]C[5]C)(CH3){1|S<4>,2|C<3>,4|H<1>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CC[6a]Cl){1|S<4>,2|C<3>,2|H<1>}	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	112.8950	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<2>,2|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a])(O){1|C<4>,4|C<3>}	110.8540	0.000	1	110.8540	0.000	1	110.8540	0.000	1	109.1740	5.645	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:2:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(S[5]C[5,6a])(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]N)(C[5]S[5]O)(CC[6a]HH){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(S[5]C[5,6a])(O){1|N<3>,4|C<3>}	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	109.1740	5.645	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]2)(COO)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C(C[5]C[5,6a]C[5]2)(COO)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	110.5920	0.293	4	110.5920	0.086	4	110.5920	0.086	4	109.7083	2.287	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	109.9860	0.000	1	108.0585	7.431	2	108.7413	3.206	4	109.7083	2.287	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|C<4>,3|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,1|H<1>,3|C<3>}	106.1310	0.000	1	108.0585	7.431	2	108.7413	3.206	4	109.7083	2.287	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(C[5]N[5]O)(CC[6a]HH){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(O){1|C<4>,1|H<1>,3|C<3>}	109.8250	0.000	1	109.8250	0.000	1	108.7413	3.206	4	109.7083	2.287	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH)	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2O)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|O<2>,4|C<3>}	109.0230	0.000	1	109.0230	0.000	1	108.7413	3.206	4	109.7083	2.287	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]C[6])(CC[6a]O)(H)2	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]2H)(C[5]N[5]O)(CCHH){1|H<1>,7|C<3>}	C(C[5]C[5,6a]C[5]C[6])(CC[6a]O)(H)2	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O){1|H<1>,4|C<3>}	111.2510	0.000	1	111.2510	0.000	1	111.2510	0.000	1	109.7083	2.287	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH)	C(C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]S[5a])(H)2	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]H)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6]C)(C[5]N[5]O)(CC[5a]HH){1|O<1>,2|H<1>,5|C<3>}	C(C[5]C[5,6a]C[5]C[6])(C[5a]C[5a]S[5a])(H)2	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]H)(O){1|C<4>,4|C<3>}	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	109.7083	2.287	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:3:1:	4:2:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(O)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<2>,4|H<1>}	108.0245	0.214	2	108.1067	0.043	3	108.1067	0.043	3	108.1067	0.043	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:3:1:	4:2:1:	C[5a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(O)	C[5](C[5a]C[5a]O[5a])(C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|C<3>,3|H<1>}	C(C[5]C[5a]C[5]2)(C[6a]C[6a]2)(CCH)(H)	C[5](C[5]C[5a]C[5]C)(O[5]C[5])(O){1|C<3>,1|O<2>,4|H<1>}	108.2710	0.000	1	108.1067	0.043	3	108.1067	0.043	3	108.1067	0.043	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:3:4:1:	4:4:1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	111.6990	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(CCHN)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	111.5150	1.522	2	111.5150	2.316	2	110.8277	2.575	3	111.8018	2.831	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,6a]C[5]2)(CH3)(H)2	C[5](C[5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(O){1|C<4>,4|C<3>}	109.4530	0.000	1	109.4530	0.000	1	110.8277	2.575	3	111.8018	2.831	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:4:1:1:	4:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH)	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]N[5]O)(CC[5]HH){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,6a]C[5]C[6])(C[5]C[5,6]N[5]H)(H)2	C[5](C[5]C[5,6a]C[6]C)(N[5]C[5,6a]O)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	112.7760	1.287	3	112.7760	1.656	3	112.7760	1.656	3	111.8018	2.831	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:Br-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH)	C(C[5]C[6a]C[5]2)(CH3)(Br)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CBrCH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(CH3)(Br)(H)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	110.7720	0.000	1	110.7720	0.000	1	110.7720	0.000	1	110.2203	6.243	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C(C[5]C[6a]C[5]2)(CCCH)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CCHH){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(CCCH)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	112.3970	0.000	1	112.3970	0.000	1	112.3970	0.000	1	110.2203	6.243	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:3:4:	4:4:1:1:	4:4:1:	C[6a]-3:C[5]-4:C[5]-3:C-4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS)	C(C[5]C[6a]C[5]2)(SC[6a]OO)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]O)(CHHS){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(SC[6a]OO)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	107.4920	0.000	1	107.4920	0.000	1	107.4920	0.000	1	110.2203	6.243	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	3:4:1:1:	4:4:1:	C[5]-3:C[5]-4:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[4,5]-4:C[5]-4:O-1:	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[4,5]C[4]2C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[4,5]O)(C[5]C[5]HH)(CC[6a]HH)(H){2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[4,5]C[4]2C[5])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,6|H<1>}	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]CH)(CH3)(H){4|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){1|C<4>,1|H<1>,7|C<3>}	112.6930	0.000	1	112.6930	0.000	1	112.0746	0.437	16	112.2966	1.101	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){3|C<4>,3|H<1>,4|C<3>}	112.5199	0.285	8	112.4069	0.186	9	112.0746	0.437	16	112.2966	1.101	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	111.5030	0.000	1	112.4069	0.186	9	112.0746	0.437	16	112.2966	1.101	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)(H){1|C<4>,3|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	111.4732	0.552	6	111.4732	0.305	6	112.0746	0.437	16	112.2966	1.101	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[6]-3:C[5]-4:	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[6])(C[5]C[5,6a]HH)(CH3)(H){4|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[6]C[6,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	112.3605	0.865	2	112.3605	0.748	2	112.3605	0.748	2	112.2966	1.101	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:I-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H)	C(C[5]C[5]2H)(H)2(I)	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[5]C[5,5]HH)(CHHI)(H){1|I<1>,4|C<3>}	C(C[5]C[5]2H)(H)2(I)	C[5](C[5]C[5,5]I)(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,4|H<1>}	115.7200	0.000	1	115.7200	0.000	1	115.7200	0.000	1	112.2966	1.101	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	4:3:3:	C[5]-3:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|O<2>,3|C<3>}	113.8980	0.000	1	111.0440	16.291	2	111.0440	16.291	2	111.0440	16.291	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	4:3:3:	C[5]-3:C[5,5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5,5]C[5]3)(CH3)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(C[5]C[5]C){1|O<1>,2|C<3>,2|C<4>,2|O<2>}	108.1900	0.000	1	111.0440	16.291	2	111.0440	16.291	2	111.0440	16.291	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]O)(C[5]C[5]CH)(CH3)(H){1|H<1>,1|N<2>,2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	114.5920	0.000	1	114.5920	0.000	1	114.6077	0.296	3	114.6077	0.296	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	4:4:1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5,5]C[5]2O[5])(C[5]C[5]CH)(O){3|H<1>,5|C<4>}	114.6155	0.769	2	114.6155	0.591	2	114.6077	0.296	3	114.6077	0.296	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	4:4:3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CHH)	C[5](C[5]C[5,5]C)(C[5]N[5]HH)(CH3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,5]C[5]2N[5])(C[5]C[5]CH)(CHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	115.1110	0.000	1	115.1110	0.000	1	115.1110	0.000	1	113.5530	5.084	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	4:4:3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH)	C[5](C[5]C[5,6]C)(C[5]N[5]HH)(CH3)(H){1|S<4>,2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[6]2N[5])(C[5]C[5]CH)(CCH){1|S<4>,2|C<4>,6|H<1>}	115.8640	0.000	1	115.8640	0.000	1	115.8640	0.000	1	113.5530	5.084	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:1:1:1:	4:4:3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)2(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	111.6185	0.008	2	111.6185	0.000	2	111.6185	0.000	2	113.5530	5.084	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:2:1:1:	4:4:3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H)	C[5](C[5]C[5,6]C)(C[5]O[5]HH)(CHHO)(H){2|C<4>}	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5,6]C[6]2O[5])(C[5]C[5]CH)(CC[6a]H){2|C<4>,6|H<1>}	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	109.0880	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:2:4:4:	3:4:3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:O-2:C-4:C-4:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H)	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCCO)(H){2|C<3>,3|H<1>}	C(C[5]C[5]2H)(OC[6a])(CH3)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]H){2|C<3>,6|H<1>}	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:3:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|H<1>,3|C<3>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){4|C<3>,6|H<1>}	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:3:1:1:	3:4:2:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(COO)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	114.9400	1.577	2	114.9400	2.486	2	114.9400	2.486	2	114.9400	2.486	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:3:1:1:	4:4:3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C[6]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]CH)2(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]HH)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]CH)2(C[6]C[6]2){1|C<4>,2|C<3>,6|H<1>}	115.6580	0.351	2	115.6580	0.123	2	115.6580	0.123	2	115.6580	0.123	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:Cl-1:H-1:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H)	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CClCH)(H){2|C<3>,3|C<4>}	C(C[5]C[5]2H)(CCHH)(Cl)(H)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	107.3560	0.000	1	107.3560	0.000	1	107.3560	0.000	1	107.7570	0.322	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:I-1:	C[5,5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H)	C(C[5]C[5]2H)(CCHH)(H)(I)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,5]C[6a])(C[5]C[5,5]HH)(CCHI)(H){2|C<3>,3|C<4>}	C(C[5]C[5]2H)(CCHH)(H)(I)	C[5](C[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	108.1580	0.000	1	108.1580	0.000	1	108.1580	0.000	1	107.7570	0.322	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:N[5]-2:	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	110.8505	0.986	2	112.4762	3.849	4	112.4762	3.849	4	113.1806	5.368	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:N[5]-2:	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5])	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	114.1020	0.054	2	112.4762	3.849	4	112.4762	3.849	4	113.1806	5.368	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:1:1:	3:4:2:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]){1|H<1>,2|C<4>,3|C<3>}	115.9980	0.000	1	115.9980	0.000	1	115.9980	0.000	1	113.1806	5.368	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]Ni)	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(CCHH)(H){1|Ni<4>,1|C<3>,1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5,5a]C[5])(C[5]C[5]CH)(N[5]C[5]Ni){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	113.8055	0.695	2	113.8055	0.483	2	113.8055	0.483	2	113.0147	1.142	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[6a]C[5])(C[5]C[5]HN)(CCHH)(H){1|H<1>,4|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]C){1|N<3>,3|C<3>,4|H<1>}	112.6192	1.057	4	112.6192	1.117	4	112.6192	1.117	4	113.0147	1.142	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]O)(C[5]C[5]HH)(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5,5]C[5]3)(C[5]C[5]CH)(O){1|O<2>,2|C<4>,7|H<1>}	109.0990	0.000	1	109.0990	0.000	1	109.0990	0.000	1	107.9800	2.504	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:1:1:	4:4:1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HO)(H)2	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHH)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CC[5]HO)(H)2	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O){1|H<1>,5|C<4>}	106.8610	0.000	1	106.8610	0.000	1	106.8610	0.000	1	107.9800	2.504	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:1:1:	4:4:3:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H)	C[5](C[5]C[5,6]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,3|H<1>}	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5,6]C[5,6]2C[6])(C[5]C[5]CH)(C[5]C[5]H){1|O<2>,5|C<4>,7|H<1>}	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:2:1:	4:4:1:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H)	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]O)(C[5]O[5]CC)(CCHO)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CC[5]HH)(OH)(H)	C[5](C[5,6]C[5,6]O[5]O[6])(C[5]C[5]CH)(O){1|H<1>,5|C<4>}	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	108.7280	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:4:4:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C(C[5]C[5]2H)(CH3)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){4|C<3>}	C(C[5]C[5]2H)(CH3)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]2)(C[5]C[5]CH){2|H<1>,7|C<3>}	115.9160	0.000	1	115.9160	0.000	1	114.2690	2.161	5	114.2690	2.161	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:1:	4:4:4:4:	3:3:4:	C[5]-3:C[5]-4:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H)	C(C[5]C[5]2H)(CH3)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CC3)(H){1|C<4>,3|C<3>}	C(C[5]C[5]2H)(CH3)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]C[5])(C[5]C[5]CH){2|C<4>,3|H<1>,5|C<3>}	113.8572	1.323	4	113.8572	1.751	4	114.2690	2.161	5	114.2690	2.161	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5a]-3:C[5]-4:	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO)	C[5](C[5]C[5a]C[5])(C[5]C[5]HH)(CH3)(OC){1|O<1>,3|C<3>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5a]C[5])(C[5a]C[5a]2)(C[5]C[5]CO){1|C<4>,1|O<1>,1|S<2>,3|C<3>,3|H<1>}	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	109.7750	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:1:1:1:	4:4:3:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[6]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC)	C(C[5]C[5]2O)(H)3	C[5](C[6]C[6]2Cr)(C[5]C[5]CO)(C[5]C[5]Si)	C[5](C[5]C[5]C[6])(C[5]C[5]SiH)(CH3)(OC){1|Cr<9>,1|Si<4>,1|O<1>,2|C<4>}	C(C[5]C[5]2O)(H)3	C[5](C[6]C[6]2Cr)(C[5]C[5]CO)(C[5]C[5]Si){1|Si<4>,1|O<1>,2|C<4>,3|H<1>}	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:3:1:1:	3:4:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O)	C[5](C[5]N[5]O)(CC[6a]HH)2(N[5]C[5]){1|C<3>,1|N<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(O){1|N<3>,2|C<3>}	110.9325	2.133	2	110.9325	4.551	2	110.9325	4.551	2	110.9325	4.551	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:3:1:1:	4:2:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	108.5565	0.255	2	108.5565	0.065	2	108.5565	0.065	2	109.7218	4.044	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:3:1:1:	4:2:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(S[5]C[5])(O)	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|O<2>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(S[5]C[5])(O){1|O<2>}	107.7270	0.000	1	107.7270	0.000	1	107.7270	0.000	1	109.7218	4.044	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:3:1:1:	4:2:1:	C[5]-3:C-4:C-4:O[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]N[5]O)(CC[6a]HH)2(O[5]C[5])	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CC)(N[5]C[5])(O)	C[5](C[5]N[5]O)(CC[6a]HH)2(O[5]C[5]){1|C<3>}	C(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]O[5]CC)(N[5]C[5])(O){1|C<3>}	111.8845	0.250	2	111.8845	0.062	2	111.8845	0.062	2	109.7218	4.044	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:3:1:1:	4:3:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|N<3>}	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.7500	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:3:2:1:	4:3:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O)	C[5](C[5]N[5]O)(CC[6a]HH)(CC[6a]HO)(N[5]C[5]){1|C<4>,1|N<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(OC)(H)	C[5](C[5]N[5]CC)(N[5]C[5]C)(O){1|N<3>}	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	107.3130	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:3:4:1:	4:2:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O)	C[5](C[5]O[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|C<3>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]CC)(O[5]C[5])(O){1|C<3>}	110.0050	0.290	2	110.0050	0.084	2	110.0050	0.084	2	109.3727	1.242	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:3:4:1:	4:2:1:	C[5]-3:C-4:C-4:N[5]-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]CC)(S[5]C[5])(O)	C[5](C[5]S[5]O)(CC[6a]CH)(CC[6a]HH)(N[5]C[5]){1|O<2>}	C(C[5]C[5]N[5]C)(C[6a]C[6a]2)(CCHH)(H)	C[5](C[5]N[5]CC)(S[5]C[5])(O){1|O<2>}	108.1080	0.000	1	108.1080	0.000	1	108.1080	0.000	1	109.3727	1.242	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:4:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC)	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(OC){1|Si<4>,1|O<1>,2|C<3>}	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(C[5]C[5]Si){1|O<1>,2|C<3>,4|H<1>}	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	111.5800	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:2:	4:4:1:1:	4:4:1:	C[5]-3:C[5]-4:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH)	C(C[5]C[5]2O)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CO)(O)	C[5](C[5]C[5,5]O)(C[5]O[5]CC)(CCHH)(OH){1|C<4>,1|O<2>}	C(C[5]C[5]2O)(CC[5]HH)(H)2	C[5](C[5,5]C[5,5]O[5]2)(C[5]C[5]CO)(O){1|H<1>,5|C<4>}	104.4470	0.000	1	104.4470	0.000	1	104.4470	0.000	1	104.4470	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:3:	4:4:1:1:	4:4:1:	C[6a]-3:C[5]-4:C-4:C[5]-3:	C[5]-4:C[3x6]-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	C(C[5]C[6a]C[5]2)(C[3x6]C[6,6]3)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C(C[5]C[6a]C[5]2)(C[3x6]C[6,6]3)(H)2	C[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	107.2080	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	3:4:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,5|C<3>}	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	110.7210	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	3:4:2:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3){2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,6|H<1>}	107.8200	1.484	2	107.8200	2.201	2	107.8200	2.201	2	107.8200	2.201	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CH3)2{1|C<4>,4|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|H<1>,5|C<3>}	110.9745	4.941	2	110.9745	24.409	2	110.9745	24.409	2	113.3368	10.130	51	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5])(C[5]C[5]CC){3|C<4>,3|H<1>,4|C<3>}	113.9914	3.085	31	113.9914	9.516	31	113.6733	10.379	41	113.3368	10.130	51	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<2>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	112.7655	4.378	4	112.6873	12.982	10	113.6733	10.379	41	113.3368	10.130	51	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|S<3>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]S[5])(C[5]C[5]CC){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	112.6352	3.443	6	112.6873	12.982	10	113.6733	10.379	41	113.3368	10.130	51	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(CH3)2{1|Ir<6>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|Ir<6>,1|C<4>,3|H<1>,4|C<3>}	110.8565	0.457	2	110.8565	0.209	2	111.1720	4.252	4	113.3368	10.130	51	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|H<1>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){4|C<3>,6|H<1>}	111.4875	3.485	2	111.4875	12.148	2	111.1720	4.252	4	113.3368	10.130	51	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-3:C[5]-4:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]O[5])(C[5]C[5]CC)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|O<2>,3|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]O[5])(C[5]C[5]CC){2|H<1>,3|C<3>,5|C<4>}	114.0230	0.297	2	114.0230	0.088	2	114.0230	0.088	2	113.3368	10.130	51	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	Si[6]-3:N[5]-3:C[5]-4:	C[5](C[5]Si[6]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](Si[6]C[5,6]C[6])(N[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]Si[6]N[5])(C[5]C[5]HH)(CH3)2{1|C<3>,4|C<4>}	C(C[5]C[5]2C)(H)3	C[5](Si[6]C[5,6]C[6])(N[5]C[6a]C[5])(C[5]C[5]CC){1|N<3>,3|C<3>,3|H<1>,5|C<4>}	112.4425	4.123	2	112.4425	17.000	2	112.4425	17.000	2	113.3368	10.130	51	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{1|S<4>,2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	111.5318	4.007	4	111.8590	13.177	10	111.9369	12.735	24	111.9369	12.735	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	111.9870	3.759	4	111.8590	13.177	10	111.9369	12.735	24	111.9369	12.735	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CH)(CH3)2{3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){3|H<1>,4|C<3>}	112.2575	5.218	2	111.8590	13.177	10	111.9369	12.735	24	111.9369	12.735	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5])	C[5](C[5]C[6a]N[5])(C[5]N[5]CO)(CH3)2{3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]N[5]){1|O<2>,2|H<1>,4|C<3>}	112.2070	4.005	2	112.2070	16.040	2	111.9369	12.735	24	111.9369	12.735	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CH)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|C<4>,2|C<3>,3|H<1>}	112.1466	2.893	10	112.1466	8.368	10	111.9369	12.735	24	111.9369	12.735	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:2:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[5](C[5]C[6a]N[5])(C[5]O[5]CO)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	111.0075	8.977	2	111.0075	80.582	2	111.9369	12.735	24	111.9369	12.735	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2)	C[5](C[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(CH3)2{1|C<4>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]C[5]2){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	112.0050	3.644	6	112.0050	13.282	6	112.0050	13.282	6	112.1111	5.862	39	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{1|N<3>,4|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(N[5]C[5]C){2|H<1>,7|C<4>}	113.5999	2.452	12	113.5999	6.011	12	113.5999	6.011	12	112.1111	5.862	39	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HH)(CH3){1|H<1>,4|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){3|H<1>,5|C<3>}	110.4380	0.000	1	110.4380	0.000	1	111.9960	3.208	3	112.1111	5.862	39	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:C[5]-3:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]HO)(CH3){2|C<3>,3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]H){2|C<3>,6|H<1>}	112.7750	1.666	2	112.7750	2.775	2	111.9960	3.208	3	112.1111	5.862	39	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	109.7750	1.188	6	109.7750	1.412	6	111.1731	2.428	18	112.1111	5.862	39	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	110.5595	0.414	2	111.8721	1.511	12	111.1731	2.428	18	112.1111	5.862	39	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){3|C<3>,5|H<1>}	112.0681	1.297	8	111.8721	1.511	12	111.1731	2.428	18	112.1111	5.862	39	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O)	C[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)2{1|O<1>,1|O<2>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	112.4005	0.600	2	111.8721	1.511	12	111.1731	2.428	18	112.1111	5.862	39	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:B[4]-4:C[5]-4:	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC)	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{1|C<2>,1|C<3>,2|C<4>,2|S<2>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(B[4]S[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	111.7570	3.428	2	111.7570	11.752	2	111.9615	13.092	6	111.8432	13.202	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:B[4]-4:C[5]-4:	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC)	C[5](C[5]B[4]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(B[4]Se[4]2C)(C[5]C[5]CC){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	112.0637	4.226	4	112.0637	17.861	4	111.9615	13.092	6	111.8432	13.202	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:B[5]-4:C[5]-4:	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC)	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2{2|Se<2>,1|C<2>,1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(B[5]Se[5]2C)(C[5]C[5]CC){1|Se<2>,1|B<4>,2|C<3>,2|C<4>,2|H<1>}	112.4440	6.808	2	112.4440	46.349	2	112.4440	46.349	2	111.8432	13.202	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:4:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:B[6]-4:C[5]-4:	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(B[6]C[6]2Cr)(C[5]C[5]CC)	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2{1|Cr<9>,1|C<3>,4|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(B[6]C[6]2Cr)(C[5]C[5]CC){2|C<3>,4|C<4>,4|H<1>}	111.3655	3.250	4	111.3655	10.566	4	111.3655	10.566	4	111.8432	13.202	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	3:5:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:B[6]-5:C[5]-4:	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(B[6]C[6]2Li2)(C[5]C[5]CC)	C[5](C[5]B[6]N[5])(C[5]C[5]HH)(CH3)2{2|Li<7>,1|C<3>,2|C<4>,2|C<5>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(B[6]C[6]2Li2)(C[5]C[5]CC){2|C<3>,2|C<4>,2|C<5>,4|H<1>}	112.4825	0.820	2	112.4825	0.672	2	112.4825	0.672	2	112.4825	0.672	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	106.6920	0.000	1	106.6920	0.000	1	106.6920	0.000	1	112.3355	10.496	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N[5]-3:	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)	C[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)2{2|N<3>,3|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C){2|C<3>,2|H<1>,4|C<4>}	112.7836	2.786	10	112.7836	7.764	10	112.7836	7.764	10	112.3355	10.496	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6]-3:N[5]-3:	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)2{2|C<3>,3|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[6]C[6]2)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	112.9170	4.641	2	112.9170	21.543	2	112.9170	21.543	2	112.3355	10.496	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:1:1:1:	4:3:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	B[5]-4:N[5]-3:C[5]-4:	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC)	C[5](C[5]B[5]N[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](B[5]B[5]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]CC){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	111.1885	2.893	2	111.1885	8.368	2	111.1885	8.368	2	111.1885	8.368	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:4:1:1:	3:3:4:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[6a]-3:C[5]-4:	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)2{2|H<1>,3|C<3>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){4|C<3>,6|H<1>}	111.3260	4.462	2	111.3260	19.908	2	111.3260	19.908	2	111.3260	19.908	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C[4]-3:	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[4]P[4]2)	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<2>,1|P<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[4]P[4]2){1|P<2>,2|C<4>,2|H<1>,3|C<3>}	110.8570	2.668	4	110.9093	5.148	6	110.9093	5.148	6	111.7127	8.384	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C[4]-3:	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[4]P[4]2)	C[5](C[5]C[4]N[5])(C[5]C[5]HH)(CCHH)2{1|C<3>,1|P<2>,1|P<4>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[4]P[4]2){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	111.0140	2.086	2	110.9093	5.148	6	110.9093	5.148	6	111.7127	8.384	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:4:1:1:	3:4:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C[6]-3:	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2)	C[5](C[5]C[6]N[5])(C[5]C[5]HH)(CCHH)2{2|C<4>,3|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[6]C[6]2){2|C<4>,4|C<3>,4|H<1>}	112.5160	3.427	6	112.5160	11.747	6	112.5160	11.747	6	111.7127	8.384	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	3:4:4:4:	4:4:1:1:	4:3:3:	C[5]-3:C[5]-4:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C[6]-3:	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3)	C(C[5]C[5]2C)(CHOO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2)	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5]2C)(CHOO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(C[6]C[6]2){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	114.3980	0.000	1	114.3980	0.000	1	114.3980	0.000	1	114.3980	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:1:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]C)(H)	C[5](C[5]C[5,6a]C[5]O)(O[5]C[5,5])(C[5]C[5]H)(CH3){1|N<3>,1|O<1>,5|C<3>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5,5]C)(H){1|O<2>,4|C<3>}	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.9810	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:2:3:4:	4:4:1:1:	4:3:3:	C[5]-4:O[5]-2:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH)	C(C[5]C[5]2O[5])(CH3)(H)2	C[5](C[5]C[5]O[5]C)(N[5]C[5]H)2	C[5](C[5]C[5,6a]HH)(O[5]C[5,6a])(C[5]N[5]2)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]2O[5])(CH3)(H)2	C[5](C[5]C[5]O[5]C)(N[5]C[5]H)2{2|C<3>,6|H<1>}	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	115.0090	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	3:4:3:1:	4:3:1:	C-4:C[5]-3:O[5]-2:C-4:	C[5a]-3:C[5]-4:C[6a]-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]O[5]C)(C[6a]C[6a]2)(H)	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH)	C[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]C)(O[5]C[5,6a])(CH3){1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O[5]C)(CHH){2|H<1>,4|C<3>}	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	110.5340	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:Se-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SeC[6a])(CH3)	C(C[5]C[5,6]C[5]Se)(H)3	C[5](C[5]C[5,6]SeC)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(SeC[6a])(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]Se)(H)3	C[5](C[5]C[5,6]SeC)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	113.6960	0.000	1	113.6960	0.000	1	113.6960	0.000	1	110.0044	6.505	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]C[5]2H)(C[5]N[5]O)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(N[5]C[5])(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(O[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(N[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	113.0880	0.000	1	113.0880	0.000	1	113.0880	0.000	1	110.0044	6.505	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5]S[5]C)(N[5]C[5])(O)	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5]S[5]C)(N[5]C[5])(O){1|N<3>,3|C<3>}	108.7200	0.000	1	108.7200	0.000	1	107.9765	1.106	2	110.0044	6.505	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5]S[5]C)(N[5]C[5])(O)	C[5](C[5]C[5]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5]S[5]C)(N[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	107.2330	0.000	1	107.2330	0.000	1	107.9765	1.106	2	110.0044	6.505	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:2:1:	C[6]-4:C[5]-3:N[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3)	C(C[5]C[5]C[6]N[5])(H)3	C[5](C[5]C[6]N[5]C)(O[5]C[5])(O)	C[5](C[6]C[6,6a]N[6]H)(C[5]O[5]O)(N[5]C[5])(CH3){5|C<3>}	C(C[5]C[5]C[6]N[5])(H)3	C[5](C[5]C[6]N[5]C)(O[5]C[5])(O){1|H<1>,1|N<3>,2|C<3>}	109.0980	1.432	3	109.0980	2.050	3	109.0980	2.050	3	110.0044	6.505	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:1:	C-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H)	C[5](CC[5a]C[6a]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|O<1>}	C(C[5]C[5]O[5]C)(H)3	C[5](C[5]O[5]CC)(C[5]C[5]H)(H){1|O<1>}	112.1920	0.000	1	112.1920	0.000	1	112.1920	0.000	1	111.5561	3.163	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5,6a]C[5]C)(C[5]C[5]H)(O[5]C[5])(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|O<1>,3|C<3>}	110.6690	0.000	1	110.6690	0.000	1	111.4917	0.767	7	111.5561	3.163	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6a]C[5]N)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|N<3>,1|O<1>,2|C<3>}	113.0540	0.000	1	113.0540	0.000	1	111.4917	0.767	7	111.5561	3.163	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|O<1>,3|H<1>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.5160	0.000	1	111.1078	0.088	4	111.4917	0.767	7	111.5561	3.163	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H)	C[5](C[5]C[5]2H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	110.9717	0.142	3	111.1078	0.088	4	111.4917	0.767	7	111.5561	3.163	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	112.2880	0.000	1	112.2880	0.000	1	111.4917	0.767	7	111.5561	3.163	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3)	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5]S[5]C)(N[5]C[6a]C[5])(O)	C[5](C[5]C[5,6a]C[5]N)(C[5]N[5]O)(S[5]C[5])(CH3){1|N<3>,1|O<1>,1|S<1>,3|C<3>}	C(C[5]C[5]2S[5])(H)3	C[5](C[5]C[5]S[5]C)(N[5]C[6a]C[5])(O){1|N<3>,1|S<1>,4|C<3>}	108.5070	0.000	1	108.5070	0.000	1	108.5070	0.000	1	111.5561	3.163	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H)	C[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|C<2>,1|H<1>,1|O<1>,3|C<3>}	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<3>}	112.5010	0.554	2	112.5010	0.307	2	112.8032	0.490	6	111.5561	3.163	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3)	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]H)(O[5]C[5])(CH3){1|O<1>,2|C<3>,3|H<1>}	C(C[5]C[5]C[6]O[5])(H)3	C[5](C[5]C[6]O[5]C)(C[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	112.9543	0.790	4	112.9543	0.624	4	112.8032	0.490	6	111.5561	3.163	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:1:	C[6]-4:C[5]-3:S[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3)	C(C[5]C[5]C[6]S[5])(H)3	C[5](C[5]C[6]S[5]C)(N[5]C[6a]C[5])(O)	C[5](C[6]C[6]2H)(C[5]N[5]O)(S[5]C[5])(CH3){1|C<4>,1|S<1>,2|C<3>,4|H<1>}	C(C[5]C[5]C[6]S[5])(H)3	C[5](C[5]C[6]S[5]C)(N[5]C[6a]C[5])(O){1|H<1>,1|S<1>,2|C<3>,2|C<4>}	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	111.5561	3.163	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3)	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]N[5]H)(C[5]C[5]C)(O[5]C[5])(CH3){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5]2O[5])(H)3	C[5](C[5]C[5]O[5]C)(C[5]C[5]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.9960	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:2:1:1:	4:4:1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO)	C(C[5]C[5]2O[5])(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(O)	C[5](C[5]C[5,5]C[5]O)(C[5]C[5,5]O)(O[5]C[5,5])(CHHO){2|C<4>,4|H<1>,4|O<2>}	C(C[5]C[5]2O[5])(OSi)(H)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]C)(O){1|H<1>,2|O<2>,3|C<4>}	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	113.5240	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:S-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(CCHH)	C(C[5]C[5]2S)(CCHO)(H)2	C[5](C[5]C[5]CS)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(SC[6a])(CCHH){1|C<4>,1|H<1>}	C(C[5]C[5]2S)(CCHO)(H)2	C[5](C[5]C[5]CS)(O[5]C[5])(O){1|C<4>,3|H<1>}	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	111.1890	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH)	C(C[5]C[5]2O[5])(CCHH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(C[5]C[5]2O[5])(CCHH)(H)2	C[5](C[5]C[5]O[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	113.6625	1.409	2	113.6625	1.986	2	113.6625	1.986	2	113.6625	1.986	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH)	C(C[5]C[5]2O[5])(CH3)(H)2	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H)	C[5](C[5]O[5]CH)(C[5]C[5]2)(O[5]C[5])(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5]2O[5])(CH3)(H)2	C[5](C[5]C[5]O[5]C)(C[5]O[5]HH)(C[5]C[5]H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	111.1220	0.000	1	111.1220	0.000	1	111.1220	0.000	1	111.1220	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:2:4:	4:4:2:1:	4:4:1:	C[5]-4:C[5]-3:O[5]-2:C-4:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:H-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO)	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H)	C[5](C[5]C[5]N[5]H)(C[5]C[5]H)(O[5]C[5])(CCHO){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(C[5]C[5]2O[5])(CCHH)(OC)(H)	C[5](C[5]C[5]O[5]C)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	111.5480	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]3)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O)	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(C[5]C[5]3)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]2C)(O){2|C<4>,4|C<3>}	106.4200	0.000	1	106.4200	0.000	1	106.4200	0.000	1	107.7380	3.474	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:N[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5]N[5]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3)	C(C[5]C[5]2N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(O)	C[5](C[5]C[5]N[5]C)(C[5]C[5,6a]O)(N[5]C[5,6a]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C(C[5]C[5]2N[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	109.0560	0.000	1	109.0560	0.000	1	109.0560	0.000	1	107.7380	3.474	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:S-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3)	C(C[5]C[5]2S)(H)3	C[5](C[5]C[5]CS)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(SC[6a]O)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2S)(H)3	C[5](C[5]C[5]CS)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	109.5480	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:2:3:	C[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3)	C(C[5]C[5]2C[6])(H)3	C[5](C[5]C[5]C[6]C)(N[5]C[5])(CC[5a]H)	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2C[6])(H)3	C[5](C[5]C[5]C[6]C)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	110.2090	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:2:4:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(N[5]N[5])(CH3)	C[5](C[5]C[5]2C)(C[5]N[5]C)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(N[5]N[5])(CH3){1|C<4>,1|O<1>,3|C<3>}	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	110.6340	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]H)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]H)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|O<2>,2|C<4>}	103.5227	0.364	3	103.5227	0.132	3	103.5227	0.132	3	105.8033	8.640	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(H){2|C<3>,3|C<4>}	109.4820	0.000	2	109.4820	0.000	2	109.4820	0.000	2	105.8033	8.640	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:1:	C[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3)	C(C[5]C[5]2C[6])(H)3	C[5](C[5]C[5]C[6]C)(C[5]N[5]C)(O)	C[5](C[6]C[6]O[6]H)(C[5]C[5]O)(C[5]N[5]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2C[6])(H)3	C[5](C[5]C[5]C[6]C)(C[5]N[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	105.2880	0.000	1	105.2880	0.000	1	105.2880	0.000	1	105.8033	8.640	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	107.4300	0.000	1	107.4300	0.000	1	109.5912	5.995	5	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]O)(CH3){1|O<2>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCHH){1|O<2>,3|H<1>}	112.1860	0.000	1	112.1860	0.000	1	109.5912	5.995	5	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|H<1>,1|O<1>,1|O<2>}	108.0055	0.230	2	109.4467	6.257	3	109.5912	5.995	5	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CC[5]H)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){1|O<2>,3|H<1>}	112.3290	0.000	1	109.4467	6.257	3	109.5912	5.995	5	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]2C)(C[5]C[5]C)(C[5]C[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(CH3){1|H<1>,2|C<3>,2|C<4>}	109.5210	0.000	2	109.5210	0.000	2	109.5210	0.000	2	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3)	C[5](GaC[6a]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2Ga)(H)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(CH3){2|C<4>}	120.9340	0.035	2	120.9340	0.001	2	120.9340	0.001	2	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Ga[3,3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3)	C(C[5]Ga[3,3]C[5]2)(H)3	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[3,3]Ga[3,3]N[3]2)(C[5]C[5]C)2(CH3){2|C<3>,3|C<4>}	C(C[5]Ga[3,3]C[5]2)(H)3	C[5](C[5]Ga[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Ga<4>,2|C<4>,2|N<3>}	120.8955	0.185	2	120.8955	0.034	2	120.8955	0.034	2	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3)	C(C[5]Ga[4]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]C[6a]Cl[4]2)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,2|C<4>}	C(C[5]Ga[4]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,1|C<3>,2|C<4>}	122.4050	0.419	4	122.4050	0.175	4	116.5514	21.171	14	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3)	C(C[5]Ga[4]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]Cl[4]2C[5])(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<3>,3|C<4>}	C(C[5]Ga[4]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|Cl<2>,3|C<4>}	113.6646	3.183	8	113.6646	10.129	8	116.5514	21.171	14	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3)	C(C[5]Ga[4]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[4]N[4]2N)(C[5]C[5]C)2(CH3){1|Ga<4>,2|C<4>,2|N<2>}	C(C[5]Ga[4]C[5]2)(H)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(CH3){2|C<4>,3|N<3>}	116.3915	0.098	2	116.3915	0.010	2	116.5514	21.171	14	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Ga[6]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3)	C(C[5]Ga[6]C[5]2)(H)3	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3)	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3){2|As<2>,2|C<4>,4|C<3>}	C(C[5]Ga[6]C[5]2)(H)3	C[5](C[5]Ga[6]C[5]C)(C[5]C[5]C)(CH3){1|As<3>,2|C<4>,2|N<3>}	113.4140	0.419	2	113.4140	0.175	2	113.4140	0.175	2	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](PAs[5,6]HW)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3)	C[5](PAs[5,6]HW)(C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2P)(H)3	C[5](C[5]C[5]CP)(C[5]C[5]C)(CH3){2|C<4>}	114.4385	2.532	2	114.4385	6.412	2	114.4385	6.412	2	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3,4]O[3]Cr)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]Cr)(C[5]C[5]C)2(CH3){4|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	113.4850	0.250	2	113.4850	0.063	2	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3,4]O[3]Mo)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]Mo)(C[5]C[5]C)2(CH3){4|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	114.0415	0.455	2	114.0415	0.207	2	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3,4]O[3]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,4]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	113.7700	0.021	2	113.7700	0.000	2	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3,5]O[3]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,5]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	111.2535	2.083	4	111.2535	4.337	4	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3,6]O[3]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3,6]O[3]W)(C[5]C[5]C)2(CH3){4|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	111.1003	2.964	6	111.1003	8.785	6	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]N[3]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]N[3]W)(C[5]C[5]C)2(CH3){1|N<2>,3|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|C<3>,1|N<3>,1|W<6>,2|C<4>}	113.8720	0.757	2	113.8720	0.572	2	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	112.9435	1.240	2	112.6339	1.511	8	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Cr)(C[5]C[5]C)2(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Cr<6>,1|O<2>,3|C<4>}	112.5307	1.325	6	112.6339	1.511	8	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	113.0200	1.291	2	113.2603	0.715	6	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]Mo)(C[5]C[5]C)2(CH3){1|H<1>,3|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|Mo<6>,1|O<2>,3|C<4>}	113.3805	0.760	4	113.2603	0.715	6	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[3]C[3]O[3]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3)	C[5](P[3]C[3]O[3]W)(C[5]C[5]C)2(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5]2P[3])(H)3	C[5](C[5]C[5]P[3]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	113.1010	0.809	2	113.1010	0.654	2	112.6114	3.277	34	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[4,6]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[4,6]C[4,5,6]P[3,4,6]W)(C[5]C[5]C)2(CH3)	C(C[5]P[4,6]C[5]2)(H)3	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3)	C[5](P[4,6]C[4,5,6]P[3,4,6]W)(C[5]C[5]C)2(CH3){1|C<3>,1|W<6>,5|C<4>}	C(C[5]P[4,6]C[5]2)(H)3	C[5](C[5]P[4,6]C[5]C)(C[5]C[5]C)(CH3){1|P<4>,1|W<6>,3|C<4>}	109.9085	2.197	2	109.9085	4.827	2	109.9085	4.827	2	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	P[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](P[4]C[4]O[4]W)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2P[4])(H)3	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3)	C[5](P[4]C[4]O[4]W)(C[5]C[5]C)2(CH3){2|H<1>,3|C<4>}	C(C[5]C[5]2P[4])(H)3	C[5](C[5]C[5]P[4]C)(C[5]C[5]C)(CH3){1|O<2>,1|W<6>,3|C<4>}	111.1610	1.037	2	111.1610	1.075	2	111.1610	1.075	2	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Si-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](SiC[5]Cl2)(C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	112.6375	1.190	2	112.6375	1.416	2	111.9726	5.401	10	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Si-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3)	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3)	C[5](SiC[5]InC)(C[5]C[5]C)2(CH3){2|C<4>}	C(C[5]C[5]2Si)(H)3	C[5](C[5]C[5]SiC)(C[5]C[5]C)(CH3){2|C<4>}	111.8064	2.566	8	111.8064	6.584	8	111.9726	5.401	10	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Si[3]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3)	C(C[5]Si[3]C[5]2)(H)3	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[3]C[3]2Si)(C[5]C[5]C)2(CH3){2|C<4>,4|H<1>}	C(C[5]Si[3]C[5]2)(H)3	C[5](C[5]Si[3]C[5]C)(C[5]C[5]C)(CH3){1|Si<4>,4|C<4>}	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3)	C(C[5]Si[4]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2B)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C(C[5]Si[4]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|B<4>,2|C<4>,2|N<3>}	113.8900	1.366	4	113.8900	1.867	4	113.4084	1.122	14	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3)	C(C[5]Si[4]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2S)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C(C[5]Si[4]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|S<1>,2|C<4>,2|N<3>}	113.7775	0.917	2	113.7775	0.841	2	113.4084	1.122	14	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3)	C(C[5]Si[4]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Se)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C(C[5]Si[4]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Se<1>,2|C<4>,2|N<3>}	113.9755	0.991	2	113.9755	0.981	2	113.4084	1.122	14	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2Te)(C[5]C[5]C)2(CH3)	C(C[5]Si[4]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Te)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C(C[5]Si[4]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Te<1>,2|C<4>,2|N<3>}	112.5130	0.595	4	112.5130	0.354	4	113.4084	1.122	14	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	Si[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Si[4]N[4]2Zn)(C[5]C[5]C)2(CH3)	C(C[5]Si[4]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[4]N[4]2Zn)(C[5]C[5]C)2(CH3){1|C<3>,4|C<4>}	C(C[5]Si[4]C[5]2)(H)3	C[5](C[5]Si[4]C[5]C)(C[5]C[5]C)(CH3){1|Zn<4>,2|C<4>,2|N<3>}	113.2995	1.010	2	113.2995	1.021	2	113.4084	1.122	14	113.3335	11.410	92	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]O)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]O)(CH3){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|H<1>,3|C<4>}	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	106.5000	9.559	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:4:1:	C[5]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3)	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(O)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]O)(CH3){4|H<1>,6|C<3>}	C(C[5]C[6a]C[5]2)(H)3	C[5](C[5]C[6a]C[5]C)(C[5]C[5]CC)(O){3|C<3>,3|H<1>}	104.7150	0.023	2	104.7150	0.001	2	104.7150	0.001	2	106.5000	9.559	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:4:3:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3)	C(C[5]C[5,6]C[6a]C[5])(H)3	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]HH)(CHH)	C[5](C[5,6]C[6,6a]C[5,6]O)(C[6a]C[6a]2)(C[5]C[5]C)(CH3){1|C<4>,4|C<3>,5|H<1>}	C(C[5]C[5,6]C[6a]C[5])(H)3	C[5](C[5]C[5,6]C[6a]C)(C[5]C[5,6]HH)(CHH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	110.0790	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:4:4:	C[5]-4:C[5]-3:N-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(CH3)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCdC)(CH3){1|N<3>,3|H<1>}	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]HN)(CH3){4|H<1>}	122.2710	0.000	1	122.2710	0.000	1	122.2710	0.000	1	122.2710	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:N[5]-3:C-4:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH)	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5]C)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5]C)(N[5]C[5]C)(O){1|C<3>,1|C<4>,4|H<1>}	108.2625	2.411	2	108.2625	5.811	2	108.2625	5.811	2	108.2625	5.811	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH)	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C(C[5]C[6a]C[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(O){1|H<1>,6|C<3>}	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	109.1535	29.776	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C[6a]-3:C-4:	C[5]-4:Si-4:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH)	C(C[5]C[6a]C[5]2)(SiC3)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]C)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(C[6a]C[6a]2)(CSiHH){1|Si<4>,1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[6a]C[5]2)(SiC3)(H)2	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]C)(O){2|C<4>,2|H<1>,4|C<3>}	105.2950	0.000	1	105.2950	0.000	1	105.2950	0.000	1	109.1535	29.776	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:1:1:	4:2:1:	C[5,5]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5]N[5]S[5])(C[6a]C[6a]2)(C[5]O[5]O)(CCHH)	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	C[5](C[5]C[5,5]C[6a]C)(O[5]C[5])(O)	C[5](C[5,5]C[5]N[5]S[5])(C[6a]C[6a]2)(C[5]O[5]O)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C(C[5]C[5,5]C[6a]C[5])(CH3)(H)2	C[5](C[5]C[5,5]C[6a]C)(O[5]C[5])(O){1|N<3>,1|S<2>,3|C<3>}	102.6180	0.000	1	102.6180	0.000	1	102.6180	0.000	1	103.3995	1.221	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:1:1:	4:2:1:	C[5,6]-4:C[6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]O)(CCHH)	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(C[5]O[5]O)(CCHH){1|N<2>,3|H<1>,4|C<3>}	C(C[5]C[5,6]C[6a]C[5])(CH3)(H)2	C[5](C[5]C[5,6]C[6a]C)(O[5]C[5,6])(O){1|C<4>,1|N<2>,4|C<3>}	104.1810	0.000	1	104.1810	0.000	1	104.1810	0.000	1	103.3995	1.221	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:1:1:	4:3:1:	C[5,5]-4:C[5,6a]-3:C[5]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH)	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C[5](C[5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(CCHH){1|Br<1>,1|N<2>,1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,6a]C[5,5]C[5])(CHHO)(H)2	C[5](C[5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(O){2|C<4>,3|C<3>}	107.4600	0.000	1	107.4600	0.000	1	107.4600	0.000	1	107.4600	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-3:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]O)(CCHH)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]S)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]O)(CCHH){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]S)(CC[6a]H){4|H<1>}	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	111.4970	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:4:4:	4:3:1:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2Ga)(CH3)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H)	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]2Ga)(CH3)3	C[5](C[5]C[5]GaC)(C[5]C[5]C)(H){1|C<4>,1|H<1>}	112.6425	0.299	2	112.6425	0.089	2	112.6425	0.089	2	113.0553	0.264	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:4:4:	4:3:1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]Ga[4]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C(C[5]Ga[4]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	113.5240	0.223	2	113.5240	0.050	2	113.2618	0.240	4	113.0553	0.264	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:4:4:	4:3:1:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:H-1:	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]Ga[4]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H)	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C(C[5]Ga[4]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	112.9995	0.629	2	112.9995	0.395	2	113.2618	0.240	4	113.0553	0.264	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:4:4:	4:3:4:	Ga-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]C[5]2Ga)(CH3)3	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3)	C[5](GaO[5]Cl2)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C(C[5]C[5]2Ga)(CH3)3	C[5](C[5]C[5]GaC)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	124.8620	0.038	2	124.8620	0.001	2	124.8620	0.001	2	125.0620	0.151	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:4:4:	4:3:4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]Ga[4]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C[5](Ga[4]Cl[4]2Cl)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C(C[5]Ga[4]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|Cl<1>,2|Cl<2>,1|C<4>,1|H<1>}	125.4570	0.110	2	125.4570	0.012	2	125.1620	0.211	4	125.0620	0.151	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:3:4:	4:4:4:4:	4:3:4:	Ga[4]-4:C[5]-3:C[5]-3:C-4:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-4:	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3)	C(C[5]Ga[4]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3)	C[5](Ga[4]I[4]2I)(C[5]C[5]C)(C[5]C[5]H)(CC3){1|Ga<4>,1|C<4>,1|H<1>}	C(C[5]Ga[4]C[5]2)(CH3)3	C[5](C[5]Ga[4]C[5]C)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>,1|I<1>,2|I<2>}	124.8670	0.522	2	124.8670	0.272	2	125.1620	0.211	4	125.0620	0.151	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]HO)(C[5]N[5,5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|O<2>,2|C<4>,4|H<1>}	114.4360	0.000	1	114.4360	0.000	1	112.4045	8.254	2	111.5400	8.411	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	110.3730	0.000	1	110.3730	0.000	1	112.4045	8.254	2	111.5400	8.411	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	110.6180	0.000	1	110.6180	0.000	1	110.9637	11.450	3	111.5400	8.411	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){2|H<1>,4|C<3>}	114.5070	0.000	1	114.5070	0.000	1	110.9637	11.450	3	111.5400	8.411	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CH)(O)	C[5](C[5]N[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](N[5]C[6a]N[5])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	107.7660	0.000	1	107.7660	0.000	1	110.9637	11.450	3	111.5400	8.411	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H){1|C<2>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<2>,2|C<1>}	109.3240	0.000	1	109.0340	0.168	2	113.0937	9.523	14	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,3|C<4>}	108.7440	0.000	1	109.0340	0.168	2	113.0937	9.523	14	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	111.0490	0.457	2	114.1099	11.336	7	113.0937	9.523	14	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){1|H<1>,1|O<2>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	115.7515	0.268	2	114.1099	11.336	7	113.0937	9.523	14	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,3|H<1>}	115.0560	4.523	3	114.1099	11.336	7	113.0937	9.523	14	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,3|H<1>}	111.8200	0.000	1	111.8200	0.000	1	113.0937	9.523	14	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|N<2>,3|H<1>}	110.6800	0.000	1	110.6800	0.000	1	113.0937	9.523	14	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CC[6a]HH)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|O<2>,3|H<1>}	115.2100	0.000	1	115.2100	0.000	1	113.0937	9.523	14	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]O[5]CO)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]O[5])(O)	C[5](C[5]O[5]CO)(C[5]O[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]O[5])(O){1|C<4>,1|O<2>}	114.3825	0.429	2	114.3825	0.184	2	113.0937	9.523	14	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	N[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5a]HH)(H)	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5a]HH)(H){1|C<4>,1|H<1>}	C(N[5a]C[5a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	113.7600	0.000	1	113.7600	0.000	1	113.7600	0.000	1	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	N[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H)	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H){2|H<1>}	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){4|H<1>}	110.2420	0.000	1	110.2420	0.000	1	110.2420	0.000	1	112.9571	8.806	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<3>,1|H<1>,1|O<1>}	112.5007	0.741	3	112.5007	0.548	3	113.5292	1.782	8	113.5292	1.782	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|N<3>,3|H<1>}	112.4040	0.000	1	114.2467	3.097	3	113.5292	1.782	8	113.5292	1.782	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,1|N<3>,2|H<1>}	115.1680	1.049	2	114.2467	3.097	3	113.5292	1.782	8	113.5292	1.782	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CC[6a]HH)(H){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|N<3>,3|H<1>}	113.9960	0.177	2	113.9960	0.031	2	113.5292	1.782	8	113.5292	1.782	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CNO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CNO){2|C<4>,2|H<1>}	113.1480	0.000	1	113.1480	0.000	1	113.1480	0.000	1	113.1480	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H)	C(C[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[5a]HH)(H){1|S<4>,2|H<1>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H){1|S<4>,2|H<1>}	110.8270	0.000	1	110.8270	0.000	1	110.8270	0.000	1	111.4855	0.867	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HH)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]H){1|S<4>,2|H<1>}	112.1440	0.000	1	112.1440	0.000	1	112.1440	0.000	1	111.4855	0.867	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HO)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,3|H<1>}	112.5905	2.153	2	112.5905	4.636	2	112.4380	2.388	3	112.4380	2.388	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,3|H<1>}	112.1330	0.000	1	112.1330	0.000	1	112.4380	2.388	3	112.4380	2.388	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HO)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(O){1|C<3>,3|H<1>}	110.2270	0.000	1	110.2270	0.000	1	110.2315	2.991	4	110.2315	2.991	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){4|H<1>}	112.6790	0.000	1	112.6790	0.000	1	110.2315	2.991	4	110.2315	2.991	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]SiH)(C[5]N[5]O)(CC[6a]HO)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|Si<4>,1|C<3>,2|H<1>}	109.0100	0.000	2	109.0100	0.000	2	110.2315	2.991	4	110.2315	2.991	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:2:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCHH){4|H<1>}	114.0390	0.061	2	114.0390	0.004	2	114.0390	0.004	2	114.0390	0.004	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:2:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HO)(H){1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,1|O<1>}	110.7130	0.000	1	110.7130	0.000	1	111.7643	0.855	3	111.7643	0.855	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:2:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	112.2900	0.226	2	112.2900	0.051	2	111.7643	0.855	3	111.7643	0.855	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:2:1:	4:4:2:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:C-2:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CC[6a]HO)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC){1|S<4>,2|H<1>}	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	110.4300	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:3:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HN)(H){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC[6a]CH)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<1>}	111.1215	1.080	2	111.1215	1.166	2	111.1215	1.166	2	112.5503	6.708	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HN)(H){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){4|H<1>}	115.4080	0.000	1	115.4080	0.000	1	115.4080	0.000	1	112.5503	6.708	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:3:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HN)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NHS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	111.6650	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:3:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HN)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(NC[6a]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){2|C<3>,2|H<1>}	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:3:2:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-3:C-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(CN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CC)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(CN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	110.1560	0.000	1	110.1560	0.000	1	110.1560	0.000	1	112.0525	7.193	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:3:2:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-3:N-2:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(NC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CN)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(NC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	113.9490	0.000	1	113.9490	0.000	1	113.9490	0.000	1	112.0525	7.193	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:3:2:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-3:O-2:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CO)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(COO)(OH)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	112.8530	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)(H){1|S<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CHHN)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(O){4|H<1>}	115.1990	4.417	2	115.1990	19.506	2	115.1990	19.506	2	115.1990	19.506	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:4:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(H){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CCHH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	114.0550	1.147	2	114.0550	1.315	2	114.0550	1.315	2	114.0550	1.315	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:4:2:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:O-2:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CO)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CO)(H){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CC[6a]HO)(OH)	C[5](C[5]C[5]CH)(O[5]C[5])(O){4|H<1>}	114.0420	2.039	2	114.0420	4.159	2	114.0420	4.159	2	114.0420	4.159	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	3:4:4:3:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6a]-3:C[5]-4:C-4:N-3:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H)	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CN)(H){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2H)(CH3)(NHS)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	112.8090	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]C[6])(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)(H){1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]C[6])(C[5]C[5,5]CH)(H){1|H<1>,3|C<4>,3|O<2>}	114.7390	0.000	1	114.7390	0.000	1	114.7390	0.000	1	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[3x5]C[5]O)(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:Br-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(Br)	C(C[5]C[5]2Br)(H)3	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]BrC)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(Br){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]2Br)(H)3	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]BrC)(O){1|C<3>,1|H<1>,2|C<4>}	109.3660	0.000	1	109.3660	0.000	1	109.3660	0.000	1	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H)	C(C[5]C[5]2H)(F)3	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]CH)(C[5]N[5]O)(CF3)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(F)3	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	114.3230	0.000	1	114.3230	0.000	1	113.4995	1.356	2	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H)	C(C[5]C[5]2H)(F)3	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5]O)(CF3)(H){1|C<4>,4|C<3>}	C(C[5]C[5]2H)(F)3	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(O){1|H<1>,3|C<3>}	112.6760	0.000	1	112.6760	0.000	1	113.4995	1.356	2	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[5,6]O[6])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,2|C<4>}	113.3095	0.145	2	113.3095	0.021	2	112.9447	0.410	3	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	112.2150	0.000	1	112.2150	0.000	1	112.9447	0.410	3	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]CC)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|H<1>,2|C<3>,2|C<4>}	113.4690	0.000	1	113.4690	0.000	1	113.1058	5.861	5	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|H<1>,1|O<2>,3|C<3>}	115.0100	0.000	1	115.0100	0.000	1	113.1058	5.861	5	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CH3)(H){4|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,1|H<1>,3|C<3>}	113.1520	0.000	1	113.1520	0.000	1	113.1058	5.861	5	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){1|C<3>,1|N<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<3>,1|N<3>,3|H<1>}	109.0330	0.000	1	111.9490	17.006	2	113.1058	5.861	5	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|H<1>,3|C<3>}	114.8650	0.000	1	111.9490	17.006	2	113.1058	5.861	5	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,3|H<1>}	112.5660	0.000	1	112.5660	0.000	1	114.3085	6.073	2	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CH3)(H){1|N<3>,3|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]N[5])(C[5]C[5]CH)(O){2|C<4>,3|C<3>}	116.0510	0.000	1	116.0510	0.000	1	114.3085	6.073	2	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]CO)(C[5]N[5,5]O)(CH3)(H){1|C<3>,2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	112.9694	1.187	5	112.9694	1.408	5	113.2398	1.565	6	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CH3)(H){1|C<4>,3|C<3>}	C(C[5]C[5]2H)(H)3	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CH)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	114.5920	0.000	1	114.5920	0.000	1	113.2398	1.565	6	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2H)(H)3	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5]CH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	113.3435	0.032	2	113.3435	0.001	2	112.9930	0.572	4	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2H)(H)3	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]CH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	111.8600	0.000	1	111.8600	0.000	1	112.9930	0.572	4	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2H)(H)3	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	113.4250	0.000	1	113.4250	0.000	1	112.9930	0.572	4	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](N[5]C[5,5]H)(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2H)(H)3	C[5](N[5]C[5,5]H)(C[5]C[5]CH)(O){1|C<4>,1|O<2>,2|H<1>}	111.8145	1.147	4	111.8145	1.316	4	112.4766	3.179	5	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(O){1|C<3>,3|C<4>,3|H<1>}	115.1250	0.000	1	115.1250	0.000	1	112.4766	3.179	5	113.1355	2.948	30	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5])	C[5](C[5]C[6a]N[5]H)(C[5]C[6a]N[5])(CH3)(H){5|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]N[5]){3|H<1>,4|C<3>}	112.7380	0.000	1	112.7380	0.000	1	112.7380	0.000	1	112.7380	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(COO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CH3)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,2|C<4>,3|C<3>}	114.3270	0.000	1	114.3270	0.000	1	114.3270	0.000	1	114.3175	0.000	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[3]-4:C[5]-4:	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH)	C[5](C[5]C[6a]B[5]H)(C[5]C[3]C[5])(CH3)(H){1|C<2>,1|H<1>,2|C<4>,4|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]B[5])(C[3]C[3]2H)(C[5]C[5]CH){1|C<2>,4|C<3>,5|H<1>}	114.3080	0.000	1	114.3080	0.000	1	114.3080	0.000	1	114.3175	0.000	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(O[5]C[3x5,6])(O)	C[5](C[5,5,6]C[3x5,6]C[5]C[6])(C[5]O[5]O)(CH3)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(O[5]C[3x5,6])(O){1|C<3>,1|N<3>,2|C<4>}	113.5840	0.291	2	113.5840	0.085	2	113.6075	0.035	4	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]O)(CH3)(H){1|C<3>,3|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(O[5]C[5,6])(O){1|C<3>,2|C<4>}	113.7280	0.000	1	113.7280	0.000	1	113.6075	0.035	4	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(O[5]C[5,5,6])(O)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(O[5]C[5,5,6])(O){1|C<3>,1|N<3>,2|C<4>}	113.5340	0.000	1	113.5340	0.000	1	113.6075	0.035	4	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[3x5]C[5,5]O)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O)	C[5](C[5,5]C[3x5]C[5,5]O)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O){1|H<1>,1|O<2>,2|C<4>}	112.3075	4.318	2	112.3075	18.648	2	110.3640	10.496	7	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5,6]C[5,5]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O){2|C<4>,2|H<1>}	114.0790	0.000	1	114.0790	0.000	1	110.3640	10.496	7	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O){2|C<4>,2|H<1>}	107.4035	1.975	2	107.4035	3.900	2	110.3640	10.496	7	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O){1|C<3>,1|C<4>,2|H<1>}	109.2670	0.000	1	109.2670	0.000	1	110.3640	10.496	7	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	109.7800	0.000	1	109.7800	0.000	1	110.3640	10.496	7	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6,6])(O)	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6,6])(O){1|H<1>,3|C<4>}	112.1890	0.000	1	112.1890	0.000	1	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	113.6620	0.000	1	113.6620	0.000	1	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	112.2925	1.543	13	112.4518	2.666	20	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|C<3>,1|H<1>,2|C<4>}	113.3520	0.000	1	112.4518	2.666	20	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	115.2980	0.000	1	112.4518	2.666	20	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|H<1>,1|O<2>,2|C<4>}	113.5320	0.000	1	112.4518	2.666	20	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	111.7630	1.806	4	112.4518	2.666	20	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|C<4>,1|N<3>,2|H<1>}	108.1190	0.000	1	108.1190	0.000	1	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]O[6]C)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|H<1>,1|O<2>,2|C<4>}	114.5880	0.000	1	114.5880	0.000	1	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	114.8293	0.778	7	114.8293	0.605	7	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5a,6]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	113.9015	0.629	2	113.9015	0.395	2	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[6,6a]C[5,6]H)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	112.3945	0.636	2	112.3945	0.404	2	112.9712	3.361	35	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:Br-1:	C[5]-4:Br-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CBrHH)(Br)	C(C[5]C[5]2Br)(Br)(H)2	C[5](C[5]C[5]BrC)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CBrHH)(Br){1|C<4>,1|H<1>}	C(C[5]C[5]2Br)(Br)(H)2	C[5](C[5]C[5]BrC)(O[5]C[5])(O){2|C<4>,2|H<1>}	109.2370	0.000	1	109.2370	0.000	1	109.2370	0.000	1	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:F-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F)	C(C[5]C[5]2F)(H)3	C[5](C[5]C[5]CF)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(F){1|C<4>,1|H<1>}	C(C[5]C[5]2F)(H)3	C[5](C[5]C[5]CF)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	115.0830	0.881	2	115.0830	0.776	2	115.0830	0.776	2	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,5])(O)	C[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,5])(O){1|H<1>,3|C<3>}	112.5350	0.000	1	112.5350	0.000	1	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5,5]C[5]C)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5,5]C[5]C)(C[5]O[5]O)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	112.2020	0.000	1	112.2020	0.000	1	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,5])(O)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,5])(O){1|C<4>,1|O<2>,2|H<1>}	111.0620	0.000	1	111.0620	0.000	1	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,6])(O)	C[5](C[5]C[5,6]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	112.9180	0.000	2	112.9180	0.000	2	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]2H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]2H)(C[5]O[5]O)(CH3)(H){1|N<3>,2|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	114.4110	0.000	1	114.4110	0.000	1	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	113.2912	0.688	14	112.8245	2.173	40	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	113.3830	0.000	1	112.8245	2.173	40	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	112.5860	1.803	23	112.8245	2.173	40	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,1|H<1>,2|C<3>}	112.7700	0.000	1	112.8245	2.173	40	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)(H){2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,3|H<1>}	111.2710	0.000	1	112.8245	2.173	40	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,3|H<1>}	110.4050	0.000	1	112.9672	1.974	13	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,3|H<1>}	113.4749	1.093	10	112.9672	1.974	13	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	111.7100	0.793	2	112.9672	1.974	13	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HN)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CH3)(H){2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,1|N<3>,2|C<3>}	110.9145	0.029	2	110.9145	0.001	2	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	113.5243	0.983	3	113.4892	0.649	4	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<4>}	113.3840	0.000	1	113.4892	0.649	4	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,3|C<3>}	108.1810	0.000	1	108.1810	0.000	1	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CH3)(H){4|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,3|C<3>}	113.0583	0.999	4	113.0583	0.998	4	112.7686	2.180	70	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]B[5,6])(O)	C[5](N[5]B[5,6]HH)(C[5]O[5]O)(CH3)(H){2|C<4>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]B[5,6])(O){2|C<4>,2|H<1>}	111.0250	0.000	1	111.0250	0.000	1	111.7020	0.917	2	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H)	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]Ga[5])(O)	C[5](N[5]Ga[5]CH)(C[5]O[5]O)(CH3)(H){2|O<2>}	C(C[5]C[5]N[5]H)(H)3	C[5](C[5]N[5]CH)(O[5]Ga[5])(O){1|C<4>,1|H<1>,2|O<2>}	112.3790	0.000	1	112.3790	0.000	1	111.7020	0.917	2	112.7072	3.327	121	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:3:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C[5]-3:	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H)	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5]C[5,6,6]CH)(O[5]C[5,5,6,6])(C[5]C[5]O[5])	C[5](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[5]C[5]O[5])(CH3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C(C[5]C[5,6,6]C[5]H)(H)3	C[5](C[5]C[5,6,6]CH)(O[5]C[5,5,6,6])(C[5]C[5]O[5]){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	114.6530	0.000	1	114.6530	0.000	1	114.6530	0.000	1	113.1377	0.920	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)(H){1|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>}	112.9507	0.869	6	112.9507	0.756	6	112.9507	0.756	6	113.1377	0.920	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:2:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5]C[5]HH)(C[5]O[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CCH)	C[5](C[5]C[5]HH)(C[5]O[5]C)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(O[5]C[5])(CCH){2|C<4>,2|H<1>}	112.7450	0.000	1	112.7450	0.000	1	112.7450	0.000	1	113.1377	0.920	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[4,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[5]C[4,5]CH)(N[5]C[4,5]H)(O)	C[5](C[4,5]C[4,5]O[4]H)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[5]C[4,5]CH)(N[5]C[4,5]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.8873	0.733	3	112.8873	0.537	3	112.8873	0.537	3	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(O)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,5|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]H)(O){3|C<4>}	108.2770	0.000	1	108.2770	0.000	1	108.2770	0.000	1	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:Cl-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(Cl)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]Cl)(CH3)(H){1|Cl<1>,2|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(Cl){1|Cl<1>,1|H<1>,2|C<4>}	112.3030	0.000	1	112.3030	0.000	1	112.3030	0.000	1	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]S)(C[5]C[5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,1|H<1>,1|S<3>}	113.4480	0.000	1	113.4480	0.000	1	115.5198	3.135	4	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]N)(H){1|Zr<12>,2|C<4>}	114.6440	0.000	1	114.6440	0.000	1	115.5198	3.135	4	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CH3)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	116.9935	0.045	2	116.9935	0.002	2	115.5198	3.135	4	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(O){2|C<2>,2|C<3>}	114.4120	0.000	1	114.4120	0.000	1	114.4120	0.000	1	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)(H){1|H<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(O){2|C<3>,2|H<1>}	109.5370	0.000	1	109.5370	0.000	1	109.5370	0.000	1	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(O)	C[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]O)(CH3)(H){1|O<2>,3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	114.8620	0.000	1	114.8620	0.000	1	114.8620	0.000	1	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)(H){2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(O){2|C<4>,2|H<1>}	113.6190	0.000	1	113.6190	0.000	1	114.6125	1.974	2	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]O)(CH3)(H){1|C<3>,3|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	115.6060	0.000	1	115.6060	0.000	1	114.6125	1.974	2	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:Cl-1:Cl-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H)	C(C[5]C[5]2H)(Cl)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCl2H)(H){1|Si<4>,2|H<1>}	C(C[5]C[5]2H)(Cl)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|Si<4>,1|C<3>,2|H<1>}	110.7770	0.000	1	110.7770	0.000	1	110.7770	0.000	1	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H)	C(C[5]C[5]2H)(Cl)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CClHH)(H){1|H<1>,2|C<4>}	C(C[5]C[5]2H)(Cl)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	110.3785	1.114	2	110.3785	1.240	2	110.3785	1.240	2	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]P)(C[5]C[5]H)(CH3)(H){2|H<1>,3|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<3>,1|P<4>,2|H<1>}	107.9820	0.317	2	107.9820	0.100	2	108.9550	2.890	3	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]H)(H)	C[5](C[5]N[5]CH)(C[5]C[5]H)(CH3)(H){1|H<1>,1|S<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]H)(H){1|C<3>,1|H<1>,1|S<4>}	110.9010	0.000	1	110.9010	0.000	1	108.9550	2.890	3	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[3]C[5]H)(C[5]C[5]O)(CH3)(H){2|H<1>,3|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	115.3470	0.000	1	115.3470	0.000	1	114.6167	1.346	3	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)(H){2|O<2>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(O){1|C<3>,2|O<2>}	113.2790	0.000	1	113.2790	0.000	1	114.6167	1.346	3	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|H<1>,1|N<3>,1|O<2>}	115.2240	0.000	1	115.2240	0.000	1	114.6167	1.346	3	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<2>,1|H<1>,2|C<3>}	114.8130	0.286	2	114.8130	0.082	2	112.6638	4.712	12	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]Ni)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)(H){1|Ni<4>,1|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]Ni)(O){1|C<3>,1|C<4>,1|H<1>}	112.4660	2.017	2	112.4660	4.067	2	112.6638	4.712	12	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<3>,1|O<2>,2|C<4>}	113.5553	2.464	3	113.5553	6.072	3	112.6638	4.712	12	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]CS)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CS)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|H<1>,1|S<2>,2|C<3>}	112.2700	0.000	1	112.2700	0.000	1	112.6638	4.712	12	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]O)(O){1|C<3>,3|H<1>}	113.7700	0.000	1	113.7700	0.000	1	112.6638	4.712	12	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|Si<4>,1|H<1>,2|C<4>}	109.5250	0.000	1	109.5250	0.000	1	112.6638	4.712	12	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|Si<4>,1|H<1>,2|C<4>}	112.0020	0.000	1	110.5885	3.996	2	112.6638	4.712	12	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]SiC)(C[5]N[5]O)(CH3)(H){1|O<2>,2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|Si<4>,1|C<4>,1|H<1>,1|O<2>}	109.1750	0.000	1	110.5885	3.996	2	112.6638	4.712	12	112.6735	6.415	35	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:2:	C[4,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:S-2:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[4])	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[4]){1|C<3>,1|C<4>,1|H<1>}	109.9550	0.000	1	109.9550	0.000	1	109.4960	0.421	2	109.2017	0.471	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:2:	C[4,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:S-2:	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H)	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[5])	C[5](C[4,5]N[4,5]C[4]H)(C[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[4,5]C[5]H)(H)3	C[5](C[5]C[4,5]CH)(C[5]N[4,5]C)(SC[5]){1|C<3>,1|C<4>,1|H<1>}	109.0370	0.000	1	109.0370	0.000	1	109.4960	0.421	2	109.2017	0.471	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	C[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]Ni)(NC[5a])	C[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)(H){1|Ni<4>,1|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]C[5]Ni)(NC[5a]){1|C<3>,2|H<1>}	108.6130	0.000	1	108.6130	0.000	1	108.6130	0.000	1	109.2017	0.471	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:3:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(CC[6a]H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]O)(CC[6a]H){2|C<4>,2|H<1>}	111.2930	0.000	1	111.2930	0.000	1	111.2930	0.000	1	112.7965	5.866	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CF3)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(C[5]C[5]H)(COO){2|C<3>,2|H<1>}	115.0215	1.030	2	115.0215	1.061	2	115.0215	1.061	2	112.7965	5.866	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H)	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CF3)(H){3|C<3>}	C(C[5]C[5]2H)(F)3	C[5](C[5]C[5]CH)(N[5]C[5]C)(CC[6a]H){2|C<3>,2|H<1>}	111.4570	0.000	1	111.4570	0.000	1	111.4570	0.000	1	112.7965	5.866	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]H){1|C<3>,2|H<1>}	109.9020	0.000	1	109.9020	0.000	1	112.6430	12.330	3	112.7965	5.866	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6a]O){1|C<3>,1|O<1>,1|O<2>}	111.4260	0.000	1	111.4260	0.000	1	112.6430	12.330	3	112.7965	5.866	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH)	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	116.6010	0.000	1	116.6010	0.000	1	112.6430	12.330	3	112.7965	5.866	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]O[5]O)(CC[6a]C)	C[5](C[5]O[5]CH)(C[5]N[5]C)(CH3)(H){1|O<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(N[5]O[5]O)(CC[6a]C){1|C<3>,1|H<1>}	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	112.7965	5.866	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Hf)(C[5]C[5]C)(CH3)(H){4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Hf<9>,2|C<4>}	112.6145	0.107	2	112.6145	0.011	2	112.0544	1.299	8	112.5674	2.507	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Ti)(C[5]C[5]C)(CH3)(H){4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Ti<8>,2|C<4>}	112.1790	0.000	1	112.1790	0.000	1	112.0544	1.299	8	112.5674	2.507	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]C)(CH3)(H){4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|Zr<9>,2|C<4>}	113.2435	0.108	2	113.2435	0.012	2	112.0544	1.299	8	112.5674	2.507	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Cr<6>,1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	110.2670	0.000	1	110.8467	0.611	3	112.0544	1.299	8	112.5674	2.507	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|Cl<1>,1|Mo<6>,1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	110.5370	0.000	1	110.8467	0.611	3	112.0544	1.299	8	112.5674	2.507	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3)	C[5](C[5,5]C[5,5]P[5]C)(C[5]C[5]C)(CH3)(H){1|F<1>,1|O<2>,1|W<6>,3|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(CH3){1|O<2>,1|P<4>,2|C<4>}	111.7360	0.000	1	110.8467	0.611	3	112.0544	1.299	8	112.5674	2.507	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)(H){2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|H<1>,2|C<4>}	114.6195	1.715	2	114.6195	2.940	2	114.6195	2.940	2	112.5674	2.507	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[4,5,6]-4:C[5]-4:O-1:	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H)	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[4,5,6]C[4,5,5,6,6]C[4,5,6,6]C)(C[5]C[5,5,6,6]CH)(O)	C[5](C[5,5,6,6]C[4,5,5,6,6]C[5,5,6,6]H)(C[5]C[4,5,6]O)(CH3)(H){2|H<1>,5|C<4>}	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[4,5,6]C[4,5,5,6,6]C[4,5,6,6]C)(C[5]C[5,5,6,6]CH)(O){3|C<4>,3|H<1>}	108.0210	0.000	1	108.0210	0.000	1	108.0210	0.000	1	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5]C[5,5,6,6]CH)2(O)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,6|C<3>}	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5]C[5,5,6,6]CH)2(O){4|C<3>}	116.2390	0.000	1	115.4585	1.218	2	115.4585	1.218	2	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5]C[5,5,6,6]CH)2(O)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,5|C<3>}	C(C[5]C[5,5,6,6]C[5]H)(H)3	C[5](C[5]C[5,5,6,6]CH)2(O){4|C<3>}	114.6780	0.000	1	115.4585	1.218	2	115.4585	1.218	2	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	110.8305	0.599	2	111.5117	1.571	3	111.5117	1.571	3	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CH)(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	112.8740	0.000	1	111.5117	1.571	3	111.5117	1.571	3	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:H-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]H)(CH3)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(H){1|C<4>,1|H<1>,2|C<3>}	116.7160	0.000	1	116.7160	0.000	1	116.7160	0.000	1	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(O)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)(H){3|C<4>,7|H<1>}	C(C[5]C[5,5,6]C[5]H)(H)3	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5]HH)(O){1|H<1>,3|C<4>}	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]O)(CH3)(H){3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[3,5]C[3,5,5]C[3,5]H)(C[5]C[5,5]CH)(O){1|H<1>,4|C<4>}	107.7825	0.015	2	107.7825	0.000	2	107.7825	0.000	2	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|O<2>,4|C<4>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O){2|C<4>,2|H<1>}	112.3645	0.305	2	112.3645	0.093	2	113.8990	2.507	7	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)(H){3|C<4>,4|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(O){1|H<1>,3|C<4>}	113.0345	0.022	2	113.0345	0.000	2	113.8990	2.507	7	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,2|C<3>}	116.3420	0.000	1	115.6855	0.862	2	113.8990	2.507	7	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CH3)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,2|C<3>}	115.0290	0.000	1	115.6855	0.862	2	113.8990	2.507	7	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O)	C[5](C[5,5]C[5]2N[5])(C[5]C[5]O)(CH3)(H){1|C<2>,4|C<4>,4|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O){1|C<2>,1|C<4>,1|H<1>,1|N<3>}	115.1240	0.000	1	115.1240	0.000	1	113.8990	2.507	7	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6]O)(CH3)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5,6]CH)(O){1|C<3>,3|H<1>,4|C<4>}	110.6470	0.000	1	110.6470	0.000	1	110.6470	0.000	1	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|O<1>,2|O<2>,3|C<4>,3|H<1>}	113.7375	1.292	2	113.5020	1.001	3	113.5020	1.001	3	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	113.0310	0.000	1	113.5020	1.001	3	113.5020	1.001	3	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CH3)(H){1|O<2>,2|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(O){2|C<4>,2|H<1>}	112.7540	1.712	4	112.7540	2.931	4	113.2862	2.632	6	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CH3)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(H)3	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	114.3505	0.984	2	114.3505	0.967	2	113.2862	2.632	6	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:Br-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br)	C(C[5]C[5]2Br)(H)3	C[5](C[5]C[5]BrC)2(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(Br){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C(C[5]C[5]2Br)(H)3	C[5](C[5]C[5]BrC)2(O){2|C<3>,2|H<1>}	115.2580	0.785	2	115.2580	0.616	2	115.2580	0.616	2	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl)	C(C[5]C[5]2Cl)(H)3	C[5](C[5]C[5]ClC)(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(Cl){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2Cl)(H)3	C[5](C[5]C[5]ClC)(C[5]C[5]CC)(O){4|H<1>}	114.3440	0.000	1	114.3440	0.000	1	114.3440	0.000	1	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]CH)(O)	C[5](C[5]C[3,5,6]HH)(C[5]C[3,5]O)(CH3)(H){1|H<1>,2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	111.5900	0.000	1	111.5900	0.000	1	113.2950	2.197	3	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(O)	C[5](C[5]C[3,5]CH)(C[5]C[3,5]O)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	114.1475	0.182	2	114.1475	0.033	2	113.2950	2.197	3	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[5,6]C[6]Br)(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[5,6]C[6]Br)(C[5]C[5]CH)(O){1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	111.6340	0.000	1	111.6340	0.000	1	112.2230	0.916	5	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	112.2483	1.235	3	112.2483	1.526	3	112.2230	0.916	5	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5,6]C[5,6]C[6]O)(C[5]C[5]CH)(O){1|Br<1>,2|C<4>,4|H<1>}	112.7360	0.000	1	112.7360	0.000	1	112.2230	0.916	5	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CH3)(H){1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O){1|C<2>,1|C<4>,1|H<1>,1|N<3>}	114.0700	0.000	1	114.0700	0.000	1	113.1159	3.322	14	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	113.6457	0.296	3	113.6457	0.088	3	113.1159	3.322	14	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<4>,2|H<1>}	108.3730	0.000	1	108.3730	0.000	1	113.1159	3.322	14	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(H){4|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	112.3577	1.892	4	112.3577	3.580	4	113.1159	3.322	14	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>,2|H<1>}	114.3630	0.150	2	114.3630	0.022	2	113.1159	3.322	14	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O){1|O<2>,2|H<1>,3|C<3>}	113.9465	0.240	2	114.0283	0.049	3	113.1159	3.322	14	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(H){1|C<4>,1|H<1>,4|C<3>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5a]C[5]C)(C[5]C[5]CH)(O){2|H<1>,4|C<3>}	114.1920	0.000	1	114.0283	0.049	3	113.1159	3.322	14	113.0113	4.434	52	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:2:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H)	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(NN[5])	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]N)(CH3)(H){1|C<4>,1|N<3>,5|H<1>}	C(C[5]C[5,5]C[5]H)(H)3	C[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(NN[5]){2|C<4>,2|H<1>}	114.2880	0.000	1	114.2880	0.000	1	114.2880	0.000	1	114.2880	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:3:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	112.6510	0.437	2	112.6510	0.191	2	111.9147	0.788	4	111.9805	1.791	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:3:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H)	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]2)(CH3)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[5]C[3,5]C[5]H)(H)3	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	111.1785	0.060	2	111.1785	0.004	2	111.9147	0.788	4	111.9805	1.791	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:C-3:	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]CH)(CSiC)	C[5](C[5]N[5,5]HH)(C[5]C[5,5]C)(CH3)(H){1|C<3>,1|C<4>,1|S<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]CH)(CSiC){1|S<4>,2|C<3>,2|H<1>}	111.5110	0.246	2	111.5110	0.061	2	111.5110	0.061	2	111.9805	1.791	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCH){1|C<3>,1|H<1>,1|S<4>}	116.1470	0.000	1	116.1470	0.000	1	112.0729	2.437	13	111.9805	1.791	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CSiC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|C<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]CC)(CSiC){1|S<4>,2|H<1>}	112.0713	0.288	3	112.0713	0.083	3	112.0729	2.437	13	111.9805	1.791	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC){1|S<4>,2|H<1>}	113.5215	0.156	2	113.5215	0.024	2	112.0729	2.437	13	111.9805	1.791	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]B[5])	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]B[5]){1|S<4>,2|H<1>}	111.4090	0.000	1	111.4090	0.000	1	112.0729	2.437	13	111.9805	1.791	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CSiC)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CSiC){1|S<4>,2|H<1>}	110.6893	0.100	3	110.6893	0.010	3	112.0729	2.437	13	111.9805	1.791	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CB[5]C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>,1|S<4>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CB[5]C){1|S<4>,2|C<3>,2|H<1>}	111.4120	0.000	1	111.4120	0.000	1	112.0729	2.437	13	111.9805	1.791	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H)	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]B[5])	C[5](C[5]O[5]HH)(C[5]C[5]C)(CH3)(H){2|H<1>}	C(C[5]C[5]2H)(H)3	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]B[5]){2|H<1>}	111.3275	0.709	2	111.3275	0.503	2	112.0729	2.437	13	111.9805	1.791	19	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5]2H)(CC)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]O)(CCHH)(H){1|C<4>,2|C<3>}	C(C[5]C[5]2H)(CC)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,4|H<1>}	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	112.8740	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CN)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CN)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	110.8070	0.000	1	110.8070	0.000	1	110.8070	0.000	1	112.0948	3.704	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	111.2302	1.292	4	111.4488	1.491	5	112.2217	4.777	6	112.0948	3.704	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){2|H<1>}	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,3|H<1>}	112.3230	0.000	1	111.4488	1.491	5	112.2217	4.777	6	112.0948	3.704	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H)	C(C[5]C[5]2H)(OO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(OO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	116.0860	0.000	1	116.0860	0.000	1	112.2217	4.777	6	112.0948	3.704	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	113.3900	0.284	2	112.2703	3.801	3	112.2703	3.801	3	112.0948	3.704	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(SC[6a])(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	110.0310	0.000	1	112.2703	3.801	3	112.2703	3.801	3	112.0948	3.704	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H)	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]O[5]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]H)(OC)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H){1|C<4>,1|H<1>,2|O<2>}	115.7750	0.000	1	115.7750	0.000	1	115.7750	0.000	1	112.5714	3.456	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CHHO)(H){2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	111.5330	0.000	1	111.5330	0.000	1	111.5330	0.000	1	112.5714	3.456	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:N-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl)	C(C[5]C[5]2Cl)(NN)(H)2	C[5](C[5]C[5]ClC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CHHN)(Cl){1|C<4>,2|H<1>}	C(C[5]C[5]2Cl)(NN)(H)2	C[5](C[5]C[5]ClC)(N[5]C[5]C)(O){4|H<1>}	111.9540	0.000	1	111.9540	0.000	1	111.9540	0.000	1	112.5714	3.456	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHO)(H){3|H<1>}	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|C<3>,3|H<1>}	113.2830	0.000	1	113.2830	0.000	1	111.4940	6.401	2	112.5714	3.456	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|N<3>,2|H<1>}	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|N<3>,3|H<1>}	109.7050	0.000	1	109.7050	0.000	1	111.4940	6.401	2	112.5714	3.456	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:3:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H)	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(H)	C[5](N[5]C[5]HH)(C[5]C[5]H)(CHHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]N[5]H)(OC)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(H){1|C<4>,3|H<1>}	112.8750	0.327	2	112.8750	0.107	2	112.8750	0.107	2	112.5714	3.456	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]C)(COO)	C[5](C[5]C[6a]2O[5])(C[5]C[5]C)(CHHO)(H){1|C<4>,4|C<3>}	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]C)(COO){2|C<3>}	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CHHO)(H){1|O<1>,2|C<4>}	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH){1|H<1>,3|C<4>}	113.1090	0.000	1	113.1090	0.000	1	113.1090	0.000	1	113.1090	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H)	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]CH)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]O)(CHHO)(H){5|C<4>,5|H<1>}	C(C[5]C[5,6,6]C[5]H)(OC)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6,6]CH)(O){3|C<4>,4|H<1>}	108.6580	0.083	2	108.6580	0.007	2	108.6580	0.007	2	110.9716	3.667	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5,6,6]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,5,6,6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5,6])(C[5]C[5,6]CH)(O){1|C<3>,2|O<2>,3|H<1>,4|C<4>}	112.0570	0.000	1	112.0570	0.000	1	112.0570	0.000	1	110.9716	3.667	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,5x6]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,5x6]C[5,3x6]C[4x6]2)(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,3x6]C[6]H)(C[5]C[5,5x6]O)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,5x6]C[5,3x6]C[4x6]2)(C[5]C[5,6]CH)(O){3|H<1>,3|O<2>,4|C<4>}	110.5580	0.000	1	110.5580	0.000	1	110.5580	0.000	1	110.9716	3.667	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5,6,6]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H)	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6,6]O)(CHHO)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(OC)(H)2	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5,6]CH)(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	114.0080	0.000	1	114.0080	0.000	1	114.0080	0.000	1	110.9716	3.667	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H)	C(C[5]C[5]2H)(OSi)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O)	C[5](C[5]C[5,5]CH)(C[5]C[5]O)(CHHO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(OSi)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,2|C<3>}	111.4310	0.546	2	111.4310	0.298	2	111.4310	0.298	2	110.9716	3.667	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C-4:C[5]-4:N[5]-2:	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OC[6a])(H)2	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5])	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OC[6a])(H)2	C[5](CC[5a]C[6a]H)(C[5]C[5]CH)(N[5]O[5]){2|H<1>}	114.3040	0.000	1	114.3040	0.000	1	114.3040	0.000	1	113.8643	4.079	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C-4:N[5]-2:	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OC[6a])(H)2	C[5](C[5]C[5]CH)(CC[6a]CH)(N[5]O[5])	C[5](C[5]O[5]HH)(C[5]N[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OC[6a])(H)2	C[5](C[5]C[5]CH)(CC[6a]CH)(N[5]O[5]){2|H<1>}	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1	113.8643	4.079	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:N-2:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NO)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CHHO)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NO){2|H<1>,4|C<3>}	111.6610	0.000	1	111.6610	0.000	1	111.6610	0.000	1	113.8643	4.079	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)2(CC[6a]H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHHO)(H){1|C<3>,3|H<1>}	C(C[5]C[5]2H)(OC)(H)2	C[5](C[5]C[5]CH)2(CC[6a]H){1|C<3>,3|H<1>}	110.4770	0.000	1	110.4770	0.000	1	110.9020	3.653	6	110.9020	3.653	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCF)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(H){4|H<1>}	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCF){4|H<1>}	113.0030	0.000	1	113.0030	0.000	1	110.9020	3.653	6	110.9020	3.653	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(CHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CH)(CHH){1|O<2>,2|C<3>,3|H<1>}	112.2300	0.871	2	112.2300	0.759	2	110.9020	3.653	6	110.9020	3.653	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:2:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H)	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CSiH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CHHO)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5]2H)(OH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CSiH){1|C<4>,1|H<1>}	108.7360	0.000	2	108.7360	0.000	2	110.9020	3.653	6	110.9020	3.653	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCO)(H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CCO)(H)2	C[5](C[5]C[5,6]C[6a])(C[5]C[5,6]CH)(O){1|H<1>,2|C<3>,2|C<4>}	113.2790	0.000	1	113.2790	0.000	1	113.2790	0.000	1	112.1500	5.833	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	113.7490	0.000	1	113.7490	0.000	1	113.7490	0.000	1	112.1500	5.833	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){1|N<3>,3|C<3>}	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(O){1|H<1>,1|N<3>,3|C<3>}	112.7890	0.000	1	112.7890	0.000	1	112.7890	0.000	1	112.1500	5.833	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2H)(COO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<4>,2|H<1>,3|C<3>}	108.7560	0.000	1	108.7560	0.000	1	108.7560	0.000	1	112.1500	5.833	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CCO)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	112.3740	0.000	1	112.3740	0.000	1	112.3740	0.000	1	112.1500	5.833	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5a]C[6a]H)(C[5]N[5,5a]O)(CN[5]HH)(H){4|C<3>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](N[5,5a]C[5a,6a]C[5,5a])(C[5]C[5]CH)(O){1|H<1>,4|C<3>}	108.0360	0.000	1	108.0360	0.000	1	108.0360	0.000	1	112.1500	5.833	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:O-1:	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O)	C[5](N[5]B[5,6a]CC)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O){1|O<2>,2|C<3>,2|C<4>}	114.5680	0.000	1	114.5680	0.000	1	114.1085	0.422	2	112.1500	5.833	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	N[5,6a]-3:C[5]-4:O-1:	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O)	C[5](N[5]B[5,6a]HH)(C[5]N[5,6a]O)(CC[6a]HH)(H){1|C<3>,1|N<2>,1|O<2>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](N[5,6a]B[5,6a]N[6a])(C[5]N[5]CH)(O){1|O<2>,2|C<3>,2|H<1>}	113.6490	0.000	1	113.6490	0.000	1	114.1085	0.422	2	112.1500	5.833	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,6]-3:C[5]-4:C-2:	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CRu)	C[5](C[5]N[5,6]HH)(C[5]C[5,6]C)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5,6]N[5,6]C[6])(C[5]C[5]CH)(CRu){2|C<3>,3|H<1>}	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	113.3220	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-3:C[5]-4:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(NCS)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCHH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(NCS){2|C<3>,4|H<1>}	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	109.0000	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5a]C[5])(C[5]C[5]CH)(CC[6a]HH){2|C<3>,4|H<1>}	115.6290	0.000	1	115.6290	0.000	1	115.6290	0.000	1	115.6290	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC[5a]O)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CC[5a]O)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O){1|C<4>,1|O<2>,2|H<1>}	114.3780	0.000	1	114.3780	0.000	1	114.3780	0.000	1	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]O)(H)2	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|O<2>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CC[6a]O)(H)2	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	111.5240	0.000	1	111.5240	0.000	1	112.0755	0.608	2	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	112.6270	0.000	1	112.6270	0.000	1	112.0755	0.608	2	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){2|H<1>}	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,3|H<1>}	112.3670	0.000	1	112.3670	0.000	1	111.2193	0.716	4	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|H<1>,1|O<2>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	110.8367	0.442	3	110.8367	0.196	3	111.2193	0.716	4	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	112.2655	0.538	2	112.2655	0.290	2	112.8214	0.341	5	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	C(C[5]C[5]2H)(NC[6]H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(NC[6]H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	113.0780	0.000	1	113.0780	0.000	1	112.8214	0.341	5	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	C(C[5]C[5]2H)(NC[6a]H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(NC[6a]H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	113.2490	0.160	2	113.2490	0.026	2	112.8214	0.341	5	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[5]HH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	110.4770	1.061	3	110.4770	1.126	3	110.4770	1.126	3	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	112.5210	0.000	1	110.8110	1.055	16	110.8110	1.055	16	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[6]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	110.6970	0.952	15	110.8110	1.055	16	110.8110	1.055	16	111.3523	1.675	31	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:2:3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:S[5]-2:C-3:	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(CC[6a]HH)(H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(S[5]C[5])(CCH)	C[5](C[5,5]C[5]N[5]2)(C[5]S[5]C)(CC[6a]HH)(H){1|N<2>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(S[5]C[5])(CCH){1|N<2>,2|N<3>}	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5,5,6]C[5]H)(CHN)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]H)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(CHN)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(H){2|C<4>,2|H<1>}	110.8410	0.000	1	110.8410	0.000	1	110.8410	0.000	1	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CNO)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCHH)(H){2|C<4>,4|H<1>}	C(C[5]C[5,5]C[5]H)(CNO)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H){2|C<4>,2|H<1>}	111.6150	0.033	2	111.6150	0.001	2	111.6150	0.001	2	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	110.9240	0.000	1	110.9240	0.000	1	112.2250	3.385	2	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H)	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5]2S[5])(C[5]C[5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,1|S<2>,2|C<3>}	113.5260	0.000	1	113.5260	0.000	1	112.2250	3.385	2	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|H<1>,3|C<4>}	109.2600	0.000	1	109.2600	0.000	1	109.2600	0.000	1	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(O)	C[5](C[5,6]C[6,6a]N[5,6]H)(C[5]N[5]O)(CC[6a]HH)(H){1|C<4>,3|C<3>}	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CH)(N[5]N[5,6]C)(O){1|C<3>,1|C<4>,1|H<1>}	108.4730	0.000	2	108.4730	0.000	2	108.4730	0.000	2	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC[5,6]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CC[5,6]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(O){1|H<1>,2|C<4>}	105.6820	0.000	1	105.6820	0.000	1	110.4020	13.372	4	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	111.9753	2.282	3	111.9753	5.206	3	110.4020	13.372	4	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){4|H<1>}	115.7090	0.000	1	115.7090	0.000	1	115.7090	0.000	1	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CHHN)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>}	115.8290	0.000	1	115.8290	0.000	1	115.8290	0.000	1	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H)	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CN[5]HH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>}	114.2830	0.000	1	114.2830	0.000	1	114.2830	0.000	1	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,2|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){1|C<3>,1|C<4>,2|H<1>}	112.4280	0.000	1	113.6309	6.371	11	113.6309	6.371	11	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(H){3|C<4>}	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	113.7512	2.627	10	113.6309	6.371	11	113.6309	6.371	11	112.3883	8.421	26	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:2:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C-3:N[5]-2:	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H)	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	C[5](C[5]C[5,6]CH)(CC[5a]C[6a])(N[5]C[5,6])	C[5](C[5,6]C[5,6]O[6]H)(C[5]N[5]C)(CHHN)(H){2|C<3>}	C(C[5]C[5,6]C[5]H)(NC[6a]C)(H)2	C[5](C[5]C[5,6]CH)(CC[5a]C[6a])(N[5]C[5,6]){1|C<3>,1|H<1>,1|O<2>}	108.1750	0.989	2	108.1750	0.977	2	108.1750	0.977	2	108.1750	0.977	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CCO)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CCO){1|C<3>,1|C<4>,2|H<1>}	114.1120	0.000	1	114.1120	0.000	1	112.9485	2.707	2	113.4349	5.697	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(CCH)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]O)(CCH){1|C<3>,2|C<4>}	111.7850	0.000	1	111.7850	0.000	1	112.9485	2.707	2	113.4349	5.697	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC){2|C<4>,2|H<1>}	115.1580	0.000	1	115.1580	0.000	1	113.5970	7.309	6	113.4349	5.697	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]O)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CHO){4|H<1>}	110.8240	0.000	1	110.8240	0.000	1	113.5970	7.309	6	113.4349	5.697	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	116.0760	0.000	1	116.0760	0.000	1	113.5970	7.309	6	113.4349	5.697	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCO)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCO){1|S<4>,2|H<1>}	113.3140	0.000	1	113.3140	0.000	1	113.5970	7.309	6	113.4349	5.697	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	116.2440	0.000	1	116.2440	0.000	1	113.5970	7.309	6	113.4349	5.697	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	109.9660	0.000	1	109.9660	0.000	1	113.5970	7.309	6	113.4349	5.697	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:4:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3)	C[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]C)(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(CH3){1|Cr<9>,2|C<4>}	113.7740	0.000	1	113.7740	0.000	1	113.7740	0.000	1	114.1513	10.524	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){1|O<1>,2|C<4>}	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	114.1513	10.524	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCHH)(H){1|Si<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<4>,3|H<1>}	112.2575	0.100	2	112.2575	0.010	2	112.2575	0.010	2	114.1513	10.524	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H)	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHN)(H){1|Si<4>,2|H<1>}	C(C[5]C[5]2H)(NCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]Si)(CC[6a]HH){4|H<1>}	118.0905	0.687	2	118.0905	0.471	2	118.0905	0.471	2	114.1513	10.524	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5,5,6]-4:C[5]-4:O-1:	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H)	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]CH)(O)	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]O)(CCHH)(H){3|H<1>,4|C<4>}	C(C[5]C[5,5,6]C[5]H)(CCH)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5]C[5,5,6]CH)(O){1|C<3>,3|C<4>,3|H<1>}	109.1880	0.478	2	109.1880	0.228	2	109.1880	0.228	2	111.4871	6.312	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	111.6380	0.000	1	111.6380	0.000	1	111.6380	0.000	1	111.4871	6.312	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	112.9235	2.558	2	112.9235	6.541	2	112.2283	7.276	6	111.4871	6.312	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	114.2840	0.000	1	114.2840	0.000	1	112.2283	7.276	6	111.4871	6.312	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	114.7610	0.000	1	114.7610	0.000	1	112.2283	7.276	6	111.4871	6.312	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C(C[5]C[5]2H)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	109.6620	0.000	1	109.6620	0.000	1	112.2283	7.276	6	111.4871	6.312	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|C<3>}	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	108.8160	0.000	1	108.8160	0.000	1	112.2283	7.276	6	111.4871	6.312	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(CCH)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(COO)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(CCH){1|C<3>,2|C<4>}	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	112.6997	5.048	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C){4|H<1>}	111.8680	0.000	1	111.8680	0.000	1	111.6797	0.212	3	112.6997	5.048	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CHN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(CHN)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C){2|C<3>,2|H<1>}	112.0160	0.000	1	112.0160	0.000	1	111.6797	0.212	3	112.6997	5.048	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]C)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){2|H<1>}	C(C[5]C[5]2H)(COO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]C){2|H<1>}	111.1550	0.000	1	111.1550	0.000	1	111.6797	0.212	3	112.6997	5.048	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H)	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(CHH)	C[5](C[5]C[3,5]C[5]C)(C[5]C[3,5]C)(CC[5]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C(C[5]C[5]2H)(C[5]C[5]2)(H)2	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(CHH){2|C<4>,3|H<1>}	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	112.6997	5.048	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:1:1:	4:4:3:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H)	C[5](N[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]N[5]H)(CCO)(H)2	C[5](C[5]C[5]HH)(C[5]N[5]CH)(CC[6a]H){4|H<1>}	117.2080	0.000	1	117.2080	0.000	1	117.2080	0.000	1	112.6997	5.048	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C(C[5]C[5]2H)(CCO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	109.6430	0.416	2	109.6430	0.173	2	109.6430	0.173	2	109.6430	0.173	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:2:1:	4:4:3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	C[5](C[5]C[3,5,5]HO)(C[5]C[5,5]CH)(CHH)	C[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[5]C)(CCHO)(H){1|O<2>,3|C<4>,3|H<1>}	C(C[5]C[5,5]C[5]H)(CCH)(OC)(H)	C[5](C[5]C[3,5,5]HO)(C[5]C[5,5]CH)(CHH){1|H<1>,3|C<4>}	112.5770	0.000	1	112.5770	0.000	1	112.5770	0.000	1	111.0360	4.749	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:2:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]H){1|C<4>,3|H<1>}	109.4950	0.000	1	109.4950	0.000	1	109.4950	0.000	1	111.0360	4.749	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5]2H)(COO)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[5]N[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C(C[5]C[5]2H)(COO)2(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|N<4>,2|H<1>}	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	112.7923	0.380	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:C-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5]2H)(COO)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CCCH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(COO)2(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|C<4>,3|H<1>}	112.6030	0.000	1	112.6030	0.000	1	112.6030	0.000	1	112.7923	0.380	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:N-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H)	C(C[5]C[5]2H)(CCC)(NCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHN)(H){3|H<1>}	C(C[5]C[5]2H)(CCC)(NCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){4|H<1>}	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	112.7923	0.380	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:4:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-3:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H)	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6]CH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(C[6]C[6]2)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	108.5285	1.201	2	108.5285	1.443	2	108.5285	1.443	2	108.5285	1.443	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:4:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-3:C-4:H-1:	C[5]-4:C[5]-2:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5]2H)(CC[5]H)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5])(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H){1|O<1>}	C(C[5]C[5]2H)(CC[5]H)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5])(H){1|O<1>,2|C<4>}	120.2030	0.000	1	120.2030	0.000	1	120.2030	0.000	1	120.2030	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:4:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:B[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H)	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){2|C<3>,2|H<1>}	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	113.5990	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:3:4:4:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-3:C-4:C-4:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCN)(H)	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCN)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(NC[6a]H)(CH3)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){2|C<3>,2|H<1>}	115.7130	0.000	1	115.7130	0.000	1	115.7130	0.000	1	115.7130	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O){3|H<1>,4|C<4>}	111.0380	0.000	1	111.0380	0.000	1	111.6720	0.804	2	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O){3|H<1>,4|C<4>}	112.3060	0.000	1	112.3060	0.000	1	111.6720	0.804	2	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:S-1:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]S)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(S)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]S)(CCHH)(H){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]H)(CC[5]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(S){3|H<1>,4|C<4>}	113.5970	0.000	1	113.5970	0.000	1	113.5970	0.000	1	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:Cl-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl)	C(C[5]C[5]2Cl)(CF3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]ClC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(Cl){1|C<3>,2|H<1>}	C(C[5]C[5]2Cl)(CF3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]ClC)(O){2|C<3>,4|H<1>}	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,5]-3:C[5]-4:H-1:	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]OO)(C[5]C[5,5]H)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|O<1>,3|O<2>}	115.3690	0.000	1	115.3690	0.000	1	115.3690	0.000	1	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6]2)(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5,6]O)(CCHH)(H){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5,6]C[5,6]2)(C[5]C[5]CH)(O){1|C<3>,1|H<1>,4|C<4>}	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H)	C(C[5]C[5]2H)(CF3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CF3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	109.6240	0.000	1	109.6240	0.000	1	112.1675	3.066	4	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	113.1585	0.671	2	113.0153	0.287	3	112.1675	3.066	4	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	112.7290	0.000	1	113.0153	0.287	3	112.1675	3.066	4	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HN)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|N<3>,2|H<1>,3|C<3>}	114.0835	0.305	2	114.0835	0.093	2	114.0835	0.093	2	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)(H){2|C<3>}	C(C[5]C[5]2H)(C[6]C[6]2H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	112.0558	1.018	5	112.0558	1.037	5	112.0558	1.037	5	112.4306	2.265	17	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]C)(CCHH)(H){2|C<4>,4|C<3>}	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CH)(CCH){2|N<3>,3|C<3>}	109.5140	0.000	1	109.5140	0.000	1	109.5140	0.000	1	109.9845	0.443	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:Si-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H)	C(C[5]C[5]2H)(SiC3)(H)2	C[5](C[5]C[6a]S[5])(C[5]C[5]CH)(COO)	C[5](C[5]S[5]HH)(C[5]C[5]C)(CSiHH)(H){1|C<3>}	C(C[5]C[5]2H)(SiC3)(H)2	C[5](C[5]C[6a]S[5])(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	110.4550	0.000	1	110.4550	0.000	1	110.4550	0.000	1	109.9845	0.443	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[4,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]O[5]O)(CCHH)(H){2|C<4>,2|H<1>}	C(C[5]C[4,5]C[5]H)(CHHO)(H)2	C[5](C[5]C[4,5]CH)(O[5]C[4,5])(O){1|H<1>,3|C<4>}	110.3875	2.203	2	110.3875	4.852	2	110.3875	4.852	2	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O){1|C<3>,1|H<1>,2|C<4>}	112.1300	0.000	1	112.5585	0.367	2	112.5585	0.367	2	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O){1|C<3>,1|C<4>,2|H<1>}	112.9870	0.000	1	112.5585	0.367	2	112.5585	0.367	2	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(H)2	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]N[6]H)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(CH3)(H)2	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){1|H<1>,1|N<3>,2|C<4>}	114.2470	0.000	1	114.2470	0.000	1	114.2470	0.000	1	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[5]S[5]HH)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]S[5])(O)	C[5](C[5]S[5]HH)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]S[5])(O){1|C<4>,1|O<1>,2|H<1>}	110.2380	0.000	1	110.2380	0.000	1	110.2380	0.000	1	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(O)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5,5])(O){1|C<3>,1|C<4>,2|H<1>}	109.5230	0.000	1	109.5230	0.000	1	112.6538	2.144	10	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	112.5160	0.434	2	112.5160	0.188	2	112.6538	2.144	10	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCCO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(H){2|C<4>}	C(C[5]C[5]2H)(CCCO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,3|C<4>}	114.2675	0.726	2	114.2675	0.527	2	112.6538	2.144	10	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H){2|H<1>}	C(C[5]C[5]2H)(CC3)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){4|H<1>}	111.7255	0.042	2	111.7255	0.002	2	112.6538	2.144	10	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,3|H<1>}	113.3570	0.000	1	113.3570	0.000	1	112.6538	2.144	10	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HN)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HN)(C[5]O[5]O)(CCHH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|N<3>,2|H<1>}	112.8590	0.000	1	112.8590	0.000	1	112.6538	2.144	10	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]O)(C[5]O[5]O)(CCHH)(H){1|H<1>,3|C<3>}	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<3>}	113.7810	0.000	1	113.7810	0.000	1	112.6538	2.144	10	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(H)	C(C[5]C[5]2H)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(H){2|C<4>}	C(C[5]C[5]2H)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,3|C<4>}	111.9025	2.092	2	111.9025	4.378	2	111.9025	4.378	2	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H)	C(C[5]C[5]2H)(NCCH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHN)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(NCCH)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	112.5020	0.000	1	112.5020	0.000	1	112.5020	0.000	1	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:N[6]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H)	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CN[6]HH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(N[6]C[6]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,1|C<4>,2|H<1>}	112.5470	0.000	1	112.5470	0.000	1	112.5470	0.000	1	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHP)(H)	C(C[5]C[5]2H)(PC[6a]2O)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHP)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(PC[6a]2O)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){2|C<4>,2|H<1>}	110.1750	0.000	1	110.1750	0.000	1	110.5965	0.355	2	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H)	C(C[5]C[5]2H)(PC[6a]2O)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H){2|H<1>}	C(C[5]C[5]2H)(PC[6a]2O)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){4|H<1>}	111.0180	0.000	1	111.0180	0.000	1	110.5965	0.355	2	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a]OO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CHHS)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(SC[6a]OO)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,1|O<1>,2|H<1>}	111.8010	0.000	1	111.8010	0.000	1	111.8010	0.000	1	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H)	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H){2|C<4>}	C(C[6]C[6]O[6]C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,3|C<4>}	114.4780	0.000	1	114.4780	0.000	1	115.4580	1.921	2	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[6]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H)	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(H){2|H<1>}	C(C[6]C[6a]C[6]2)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,3|H<1>}	116.4380	0.000	1	116.4380	0.000	1	115.4580	1.921	2	112.3872	3.089	25	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:P-4:H-1:H-1:	C[5]-4:O[5]-2:O-2:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H)	C(C[5]C[5]2H)(PC3)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(OAl)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CHHP)(H){2|H<1>}	C(C[5]C[5]2H)(PC3)(H)2	C[5](C[5]C[5]CH)(O[5]C[5])(OAl){4|H<1>}	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	120.8190	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H){1|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]C){1|C<3>,1|C<4>,1|H<1>}	110.7780	0.000	1	110.7780	0.000	1	111.9090	2.558	2	111.9090	2.558	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(H){1|C<3>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,1|H<1>}	113.0400	0.000	1	113.0400	0.000	1	111.9090	2.558	2	111.9090	2.558	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:2:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5,5])(CCHH)	C[5](C[5]C[5,5]CH)(C[5]N[5]C)(CCHH)(H){2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5,5])(CCHH){1|H<1>,3|C<3>}	117.0520	0.000	1	117.0520	0.000	1	117.0520	0.000	1	117.0520	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]H)(O)	C[5](C[5,3x6]C[6,6,6a]C[5,6,6]C[6,6])(C[5]C[5]O)(CCHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5,3x6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]H)(O){1|C<4>,2|C<3>}	110.3410	0.037	2	110.3410	0.001	2	110.3410	0.001	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CC3)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]H)(CCHH)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(C[5]C[5,5]C[5]H)(CC3)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5]C)(H){1|H<1>,3|C<3>}	116.6415	2.575	2	116.6415	6.628	2	116.6415	6.628	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CCHH)(H){2|H<1>,3|C<4>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(O){1|H<1>,2|C<4>}	112.5360	0.000	1	112.5360	0.000	1	113.1725	0.810	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5,5]C)(O)	C[5](C[5,5]C[5,6a]N[5,5]C)(C[5]C[5]O)(CCHH)(H){1|S<4>,3|C<3>}	C(C[5]C[5,5]C[5]H)(CH3)(H)2	C[5](C[5]C[5,5]CH)(C[5]N[5,5]C)(O){1|S<4>,2|C<3>}	113.8090	0.000	1	113.8090	0.000	1	113.1725	0.810	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O){1|C<3>,2|C<4>}	114.4780	0.000	1	113.3255	2.657	2	113.3255	2.657	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O){3|C<4>}	112.1730	0.000	1	113.3255	2.657	2	113.3255	2.657	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	110.8590	0.387	4	110.8590	0.150	4	110.8032	0.128	5	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(H){1|Cl<1>,1|S<4>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CC[6a]HH)(H)2	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(O){2|C<4>,2|H<1>}	110.5800	0.000	1	110.5800	0.000	1	110.8032	0.128	5	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5]2H)(CC[6]CH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(H){2|C<4>,2|H<1>}	111.8880	0.000	1	111.8880	0.000	1	111.4120	0.453	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]OO)(C[5]C[5]H)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,1|S<4>,2|O<2>}	110.9360	0.000	1	110.9360	0.000	1	111.4120	0.453	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCCO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(O){1|C<3>,1|H<1>,1|O<2>}	109.9040	0.000	1	109.9040	0.000	1	112.0255	9.002	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|O<2>}	114.1470	0.000	1	114.1470	0.000	1	112.0255	9.002	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CCHH)(H){1|H<1>,2|C<3>}	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<4>,1|O<2>,2|C<3>}	112.3330	0.000	1	112.3330	0.000	1	112.4895	0.049	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(O)	C[5](C[5]C[6a]C[5]O)(C[5]N[5]O)(CCHH)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	112.6460	0.000	1	112.6460	0.000	1	112.4895	0.049	2	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:1:	N[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H)	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O)	C[5](N[5]C[5]HH)(C[5]N[5]O)(CCHH)(H){3|C<4>}	C(C[5]C[5]N[5]H)(CCCH)(H)2	C[5](C[5]N[5]CH)(N[5]C[5]C)(O){2|C<4>,2|H<1>}	113.5590	0.000	1	113.5590	0.000	1	113.5590	0.000	1	112.3195	4.405	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(N[5]C[5,5]Co)(CC[5]H)	C[5](C[5,5]C[5,5]C[5]C)(C[5]N[5]C)(CCHH)(H){1|Co<6>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,5]CH)(N[5]C[5,5]Co)(CC[5]H){1|O<2>,3|C<4>}	115.2270	0.000	1	115.2270	0.000	1	115.2270	0.000	1	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|C<4>,1|H<1>}	114.8273	0.643	3	114.8273	0.413	3	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	113.2408	3.136	5	113.1512	7.916	6	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	112.7030	0.000	1	113.1512	7.916	6	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[3]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CC[3]HO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	115.9960	0.170	2	115.9960	0.029	2	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	115.8830	0.000	1	115.8830	0.000	1	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCC){2|C<4>,2|H<1>}	111.4500	0.000	1	111.4500	0.000	1	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	C(C[5]C[5]2H)(CC[6a]HO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[6a]O){4|H<1>}	112.7340	0.000	1	112.7340	0.000	1	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|C<4>,1|H<1>}	118.8330	0.000	1	118.8330	0.000	1	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	119.2410	0.000	1	116.2188	2.212	8	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	115.5893	0.825	6	116.2188	2.212	8	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<3>,1|H<1>}	116.9730	0.000	1	116.2188	2.212	8	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	115.0250	0.000	1	115.0250	0.000	1	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	117.6450	0.000	1	117.6450	0.000	1	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	117.7015	0.528	2	116.9493	3.611	4	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CC[6]HH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	116.1970	2.879	2	116.9493	3.611	4	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[6]O[5]H)(C[5]C[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	115.0890	0.000	1	115.0890	0.000	1	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CCHO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	112.3500	2.398	3	112.3500	5.752	3	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){2|H<1>}	115.9850	1.441	4	115.9850	2.076	4	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CHHP)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[5]C[5]2H)(CHHP)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCO){2|H<1>}	115.3380	0.000	1	115.3380	0.000	1	115.1557	5.365	38	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<5>,1|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]C){1|C<3>,2|C<4>}	107.9040	0.000	1	109.0625	2.215	13	109.3929	2.718	19	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<5>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]C){4|C<4>}	111.8600	0.000	1	109.0625	2.215	13	109.3929	2.718	19	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,1|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]C){1|C<3>,2|C<4>}	108.2142	1.221	6	109.0625	2.215	13	109.3929	2.718	19	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]C){4|C<4>}	109.7526	0.904	5	109.0625	2.215	13	109.3929	2.718	19	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<5>,1|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]H){1|C<3>,2|C<4>}	109.4050	0.000	1	110.1090	3.568	6	109.3929	2.718	19	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,1|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5]H){1|C<3>,2|C<4>}	110.2498	2.076	5	110.1090	3.568	6	109.3929	2.718	19	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	113.5373	3.459	3	113.5373	11.965	3	114.1517	6.104	7	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]2H)2(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	C(C[5]C[5]2H)2(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	111.7800	0.000	1	111.7800	0.000	1	114.1517	6.104	7	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|O<1>}	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	115.5567	0.085	3	115.5567	0.007	3	114.1517	6.104	7	113.3642	11.148	65	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCHH)(H){3|C<4>,3|H<1>}	C(C[5]C[5,5,6]C[5]H)(CHHO)(H)2	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]H)(CH3){2|C<4>,2|H<1>}	113.7840	0.000	1	113.7840	0.000	1	113.7840	0.000	1	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>}	112.2435	4.760	2	112.2435	22.653	2	113.6457	22.386	9	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CC[3]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCH){1|O<1>,2|C<4>}	112.9710	0.000	1	112.9710	0.000	1	113.6457	22.386	9	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CCCH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	111.4500	0.000	1	111.4500	0.000	1	113.6457	22.386	9	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|O<1>}	112.8220	0.000	1	112.8220	0.000	1	113.6457	22.386	9	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){3|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC3){4|H<1>}	120.5185	0.100	2	120.5185	0.010	2	113.6457	22.386	9	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|H<1>,1|S<4>}	C(C[5]C[5]2H)(CC[6a]HH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]H)(CCHH){1|S<4>,2|H<1>}	110.0220	5.080	2	110.0220	25.805	2	113.6457	22.386	9	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5,5]CO)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CCHH)(H){1|Co<6>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]Co)(CC[5,5]CO){4|C<4>}	115.4760	0.000	1	115.4760	0.000	1	113.1288	6.671	5	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[5]N[5]C)(CCHH)(H){1|O<1>,2|C<3>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(N[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	112.5420	2.569	4	112.5420	6.599	4	113.1288	6.671	5	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	114.0980	0.279	2	114.0980	0.078	2	113.0253	3.491	3	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H)	C(C[5]C[5]2H)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[5]HH)(H){3|H<1>}	C(C[5]C[5]2H)2(H)2	C[5](C[5]C[5]CH)(C[5]C[5]H)(CCCO){1|C<4>,1|O<2>,2|H<1>}	110.8800	0.000	1	110.8800	0.000	1	113.0253	3.491	3	113.4064	12.602	18	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	113.0180	0.000	1	113.5893	0.283	3	113.5893	0.283	3	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(H){1|N<4>,3|C<4>,6|H<1>}	C(C[5]C[5,6,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	113.8750	0.277	2	113.5893	0.283	3	113.5893	0.283	3	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]C[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]CH)(O){1|C<3>,2|H<1>,4|C<4>}	114.6960	0.000	1	114.6960	0.000	1	114.6960	0.000	1	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	108.2845	0.312	2	111.6947	17.126	4	111.6947	17.126	4	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(H){1|O<2>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(H)2	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	115.1050	2.182	2	111.6947	17.126	4	111.6947	17.126	4	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	113.2040	0.000	1	113.2040	0.000	1	112.5005	10.018	14	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	113.9163	0.200	3	113.9163	0.040	3	112.5005	10.018	14	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(H){1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|C<4>,1|H<1>,1|O<1>}	113.0620	0.000	1	113.0620	0.000	1	112.5005	10.018	14	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	115.1370	0.000	1	115.1370	0.000	1	112.5005	10.018	14	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)2(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)2(O){4|H<1>}	114.3250	1.339	3	114.3250	1.792	3	112.5005	10.018	14	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CHHS)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CHHS)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){4|H<1>}	111.4540	0.000	1	111.4540	0.000	1	112.5005	10.018	14	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]O[5]CC)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[3]O[5]O)(C[5]C[5]CH)(O)	C[5](C[5]O[5]CC)(C[5]C[5]O)(CCHH)(H){1|C<4>,1|O<2>}	C(C[5]C[5]2H)(CC[5]HH)(H)2	C[5](C[5]C[3]O[5]O)(C[5]C[5]CH)(O){1|H<1>,4|C<4>}	107.1340	1.204	3	107.1340	1.450	3	112.5005	10.018	14	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(O)	C[5](C[5]O[5]CO)(C[5]C[5]O)(CCHH)(H){2|C<4>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]CC)(O){1|C<4>,1|O<2>}	116.0240	0.000	1	116.0240	0.000	1	112.5005	10.018	14	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[5]HH)(H){1|H<1>,3|C<4>}	C(C[5]C[5]2Fe)(C[5]C[5]2H)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CH)(O){2|C<4>,5|H<1>}	114.0255	1.378	2	114.0255	1.899	2	114.0255	1.899	2	112.7209	8.632	24	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:2:	C[5,3x6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-2:	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(CRu)	C[5](C[5,3x6]C[6,6,6a]2C[5,6,6])(C[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[5]C[5,3x6]C[5]H)(CH3)(H)2	C[5](C[5]C[5,3x6]CH)(C[5]C[5,6,6]HH)(CRu){1|C<4>,1|H<1>,2|C<3>}	117.7760	0.000	1	117.7760	0.000	1	117.7760	0.000	1	117.7760	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(CCH)	C[5](C[5,6]C[5a,6]N[5,6]C)(C[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(C[5]C[5,6]C[5]H)(CHHO)(H)2	C[5](C[5]C[5,6]CH)(C[5]N[5,6]HH)(CCH){1|C<3>,2|C<4>}	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	114.0343	4.402	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[5]C[5]2H)(CH3)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]C){4|H<1>}	110.5310	0.000	1	110.5310	0.000	1	114.2940	7.320	4	114.0343	4.402	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CCC){1|C<4>,1|H<1>,1|S<4>}	114.1170	0.000	1	114.1170	0.000	1	114.2940	7.320	4	114.0343	4.402	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CC[6a]CC)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]F)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]CC)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]F){1|S<4>,2|H<1>}	116.2040	0.000	1	116.2040	0.000	1	114.2940	7.320	4	114.0343	4.402	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H)	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHH){1|S<4>,2|H<1>}	116.3240	0.000	1	116.3240	0.000	1	114.2940	7.320	4	114.0343	4.402	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H)	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2)	C[5](C[5]N[5]HH)(C[5]C[5]2)(CCHH)(H){1|S<4>,2|C<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(H)2	C[5](C[5]C[5]CH)(C[5]N[5]HH)(C[5]C[5]2){1|C<3>,1|C<4>,1|O<2>,1|S<4>,5|H<1>}	113.4470	0.000	1	113.4470	0.000	1	113.4470	0.000	1	114.0343	4.402	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H)	C(C[5]C[5]2H)(SC[6a]OO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH)	C[5](C[5]C[5]CO)(C[5]C[5]C)(CHHS)(H){1|C<4>,3|H<1>}	C(C[5]C[5]2H)(SC[6a]OO)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CHH){1|H<1>,1|O<2>,2|C<4>}	115.1750	0.000	1	115.1750	0.000	1	115.1750	0.000	1	114.0343	4.402	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5]H)(CCHH)(OC)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O){1|C<3>,1|C<4>,2|H<1>}	110.5275	0.199	4	110.5275	0.040	4	110.1728	0.659	5	110.7524	1.290	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CCHO)(H){1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5]H)(CCHH)(OH)(H)	C[5](C[5]C[5,5]CH)(O[5]C[5,5])(O){1|C<3>,1|C<4>,2|H<1>}	108.7540	0.000	1	108.7540	0.000	1	110.1728	0.659	5	110.7524	1.290	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(O)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(H){2|C<4>}	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5,5])(O){2|C<4>,2|H<1>}	113.1180	0.000	1	113.1180	0.000	1	111.2353	1.438	6	110.7524	1.290	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){2|H<1>}	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<4>,3|H<1>}	110.2877	0.483	3	110.2877	0.233	3	111.2353	1.438	6	110.7524	1.290	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHO)(H){1|C<3>}	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|H<1>,2|C<3>}	111.6050	0.000	1	111.6050	0.000	1	111.2353	1.438	6	110.7524	1.290	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)(H){2|C<3>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(OH)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,3|H<1>}	111.8260	0.000	1	111.8260	0.000	1	111.2353	1.438	6	110.7524	1.290	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H)	C(C[5]C[5]2H)(CHHO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]FF)(C[5]C[5]H)(CCHO)(H){1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|H<1>,1|O<2>,2|F<1>}	116.1610	0.000	1	116.1610	0.000	1	116.1610	0.000	1	112.8152	13.398	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6]HH)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){4|H<1>}	110.6800	0.000	1	110.6800	0.000	1	110.6015	1.950	4	112.8152	13.398	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]HH)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){4|H<1>}	110.2570	0.000	1	110.2570	0.000	1	110.6015	1.950	4	112.8152	13.398	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){4|H<1>}	109.0480	0.000	1	109.0480	0.000	1	110.6015	1.950	4	112.8152	13.398	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(OH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){4|H<1>}	112.4210	0.000	1	112.4210	0.000	1	110.6015	1.950	4	112.8152	13.398	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-1:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(C)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(C){1|C<4>,1|H<1>}	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	112.8152	13.398	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[3]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[3]HO)(H){1|O<1>}	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<3>,1|H<1>}	116.7625	0.110	2	116.7625	0.012	2	116.7625	0.012	2	115.3558	6.193	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	119.1890	0.000	1	118.2160	1.893	2	115.8881	10.512	7	115.3558	6.193	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]C)(CCHO)(H){1|H<1>,1|O<1>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	117.2430	0.000	1	118.2160	1.893	2	115.8881	10.512	7	115.3558	6.193	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C(C[5]C[5]2H)(CCHH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<3>,1|H<1>}	115.3050	4.550	2	115.3050	20.698	2	115.8881	10.512	7	115.3558	6.193	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CCHO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C(C[5]C[5]2H)(CCHO)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	116.5285	2.321	2	116.5285	5.389	2	115.8881	10.512	7	115.3558	6.193	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CCHO)(H){1|O<1>}	C(C[5]C[5]2H)(CC[3]HH)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<3>,1|H<1>}	111.1180	0.000	1	111.1180	0.000	1	115.8881	10.512	7	115.3558	6.193	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H)	C(C[5]C[5]2H)(CCHO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]S[5]N)(NOO)	C[5](C[5]C[6a]S[5]C)(C[5]C[5]N)(CCHO)(H){1|N<3>,2|C<3>}	C(C[5]C[5]2H)(CCHO)(OC)(H)	C[5](C[5]C[5]CH)(C[5]S[5]N)(NOO){2|C<3>}	115.0300	0.274	2	115.0300	0.075	2	115.0300	0.075	2	115.3558	6.193	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	117.4820	0.000	1	117.4820	0.000	1	114.1780	4.161	5	115.3558	6.193	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	113.7750	0.653	3	113.7750	0.426	3	114.1780	4.161	5	115.3558	6.193	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H)	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(C[5]C[5]C)(CC[5]HO)(H){1|O<1>}	C(C[5]C[5]O[5]O)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	112.0830	0.000	1	112.0830	0.000	1	114.1780	4.161	5	115.3558	6.193	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H)	C(C[5]C[5]2H)(CHHN)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CHHN)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CHHN){2|C<4>,2|H<1>}	113.2440	0.721	2	113.2440	0.520	2	113.2440	0.520	2	113.2440	0.520	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OC)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	114.8390	0.132	2	114.8390	0.017	2	112.0982	7.981	6	111.5402	6.332	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHO)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){4|C<4>}	111.9037	0.616	3	111.9037	0.380	3	112.0982	7.981	6	111.5402	6.332	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H)	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHO)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(OH)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	107.2000	0.000	1	107.2000	0.000	1	112.0982	7.981	6	111.5402	6.332	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H)	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHO)(H){4|H<1>}	C(C[5]C[5]2H)(CCCH)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	111.5402	6.332	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H)	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]HO)(H){4|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2H)(OC)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	110.1930	2.196	2	110.1930	4.824	2	110.1930	4.824	2	111.5402	6.332	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){1|O<2>,3|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC){1|C<4>,1|O<2>,2|H<1>}	122.1540	0.000	1	120.9848	1.189	5	120.9848	1.189	5	120.9848	1.189	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:2:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[6]-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H)	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[6]HO)(H){4|H<1>}	C(C[5]C[5]2H)(C[6]C[6]2C)(OH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]HH)(CCC){1|C<4>,3|H<1>}	120.6925	1.008	4	120.9848	1.189	5	120.9848	1.189	5	120.9848	1.189	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CCCH)(COO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	110.2830	0.000	1	110.2830	0.000	1	110.2830	0.000	1	110.4795	0.077	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H)	C(C[5]C[5]2H)(CF3)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHN)(H){2|C<3>}	C(C[5]C[5]2H)(CF3)(NHS)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	110.6760	0.000	1	110.6760	0.000	1	110.6760	0.000	1	110.4795	0.077	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)(COO)(H)	C[5](C[5]C[5,6]CH)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	112.6300	0.000	1	112.6300	0.000	1	112.6300	0.000	1	113.4142	0.338	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CH3)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCCH)(H){1|C<3>,1|H<1>}	C(C[5]C[5]2H)(CH3)(COO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O){1|C<3>,3|H<1>}	113.8010	0.314	2	113.8010	0.099	2	113.8010	0.099	2	113.4142	0.338	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	4:2:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHN)(H)	C(C[5]C[5]2H)(CCHH)(NOO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHN)(H){2|H<1>}	C(C[5]C[5]2H)(CCHH)(NOO)(H)	C[5](C[5]C[5]CH)(O[5]C[5])(O){4|H<1>}	113.4250	0.000	1	113.4250	0.000	1	113.4250	0.000	1	113.4142	0.338	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]H)(CCCH)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[5]C[5,5]C[5]H)(CCHH)(COO)(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]H)(H){1|C<3>,1|N<3>,2|H<1>}	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	113.3763	2.946	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:N[5]-3:S-1:	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H)	C(C[5]C[5]2H)(CHHO)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(S)	C[5](C[5]C[5]HH)(C[5]N[5]S)(CCCH)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CHHO)(CCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(S){4|H<1>}	112.3630	0.000	1	112.3630	0.000	1	112.3630	0.000	1	113.3763	2.946	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:N-3:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H)	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CCHN)(H){1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CC[6a]HH)(NCH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(O){1|C<4>,1|O<2>,2|H<1>}	115.3580	0.000	1	115.3580	0.000	1	115.3580	0.000	1	113.3763	2.946	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCCH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){3|H<1>}	C(C[5]C[5]2H)(CCCH)(COO)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CH3){4|H<1>}	115.7660	0.000	1	115.7660	0.000	1	115.7660	0.000	1	113.0670	14.569	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<4>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(CCH)(H)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<4>,3|H<1>}	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	113.0670	14.569	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CCCH)(CCO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|C<3>}	C(C[5]C[5]2H)(CCCH)(CCO)(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){1|H<1>,2|C<3>}	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	107.9040	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:2:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:C-2:	C[5]-4:C[5]-4:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC3)(H)	C(C[5]C[5]2H)(CH3)(CNO)(CC)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC3)(H){2|H<1>}	C(C[5]C[5]2H)(CH3)(CNO)(CC)	C[5](C[5]C[5]CH)(C[5]O[5]HH)(CCH){2|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:3:3:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-3:N-3:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCN)(H)	C(C[5]C[5]2H)(CC[6a]HH)(COO)(NOO)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCCN)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CC[6a]HH)(COO)(NOO)	C[5](C[5]C[5]CH)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	112.3750	0.000	1	112.3750	0.000	1	112.3750	0.000	1	112.3750	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CCCH)(H){1|C<3>,1|N<3>}	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,2|H<1>}	111.6335	0.609	2	111.6335	0.371	2	111.6335	0.371	2	111.6916	2.636	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|Ru<10>,1|H<1>,1|O<1>,2|C<3>}	111.6950	0.000	1	110.7453	2.161	3	110.7453	2.161	3	111.6916	2.636	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]RuH)(C[5]N[5]O)(CCCH)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CRuCH)(CCHH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|Ru<8>,1|H<1>,1|O<1>,2|C<3>}	110.2705	1.723	2	110.7453	2.161	3	110.7453	2.161	3	111.6916	2.636	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H)	C(C[5]C[5]2H)2(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]CH)(H){2|C<3>}	C(C[5]C[5]2H)2(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(O){2|C<3>,3|H<1>}	113.1690	2.017	2	113.1690	4.067	2	113.1690	4.067	2	111.6916	2.636	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:1:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(H)	C[5](C[5,5,6]C[5,5,6]C[6]O[5])(C[5]C[5]H)(CCCH)(H){2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,5,6]C[5]H)(CC[3]HH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(H){1|H<1>,1|O<2>,2|C<4>}	115.6100	0.000	1	115.6100	0.000	1	115.6100	0.000	1	117.5051	2.265	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5,5]C[5]H)(CH3)2(H)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]C)(H){1|C<3>,1|C<4>,2|H<1>}	114.6260	0.000	1	114.6260	0.000	1	114.6260	0.000	1	117.5051	2.265	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CC[5]HO)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]H)(O){3|C<4>}	118.3120	0.000	1	118.3120	0.000	1	118.3120	0.000	1	117.5051	2.265	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|O<1>,2|C<4>}	117.9295	0.398	2	117.9295	0.158	2	118.0719	0.935	7	117.5051	2.265	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H)	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CC[5]HH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(H){1|O<1>,2|C<4>}	118.1288	1.161	5	118.1288	1.348	5	118.0719	0.935	7	117.5051	2.265	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[3]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[3]O){1|O<1>,2|H<1>}	116.2610	0.000	1	116.2610	0.000	1	116.2610	0.000	1	116.2610	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:4:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]C)(CCCH)(H){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]C)(CCHH){2|C<4>,2|H<1>}	113.5883	0.977	3	113.5883	0.955	3	113.5883	0.955	3	112.7260	5.265	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCCH)(H){1|O<1>,1|O<2>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,1|O<1>}	109.3540	0.000	1	109.3540	0.000	1	112.8492	7.723	4	112.7260	5.265	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH){1|O<1>,2|H<1>}	113.7505	2.542	2	113.7505	6.462	2	112.8492	7.723	4	112.7260	5.265	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|H<1>,1|O<1>}	C(C[5]C[5]2H)(CCHH)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]H)(CC[5]HH){1|O<1>,2|H<1>}	114.5420	0.000	1	114.5420	0.000	1	112.8492	7.723	4	112.7260	5.265	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:3:4:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:Si-4:	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3)	C[5](C[5]C[5]HH)(C[5]C[5]Si)(CCCH)(H){1|Si<4>,1|C<3>,1|H<1>}	C(C[5]C[5]2H)(CCHH)(CHHS)(H)	C[5](C[5]C[5]CH)(C[5]C[5]Si)(SiC3){1|C<3>,3|H<1>}	109.6460	0.000	1	109.6460	0.000	1	109.6460	0.000	1	112.7260	5.265	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|C<3>,3|C<4>}	114.9370	0.000	1	114.9370	0.000	1	116.0592	2.140	5	115.0767	5.397	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]H)(CCHH)(CH3)(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HO)(O){4|C<4>}	114.2970	0.000	1	114.2970	0.000	1	116.0592	2.140	5	115.0767	5.397	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCCH)(H){3|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]H)(CH3)2(H)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	117.0207	0.843	3	117.0207	0.710	3	116.0592	2.140	5	115.0767	5.397	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H)	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){4|H<1>}	112.6205	2.633	2	112.6205	6.930	2	112.6205	6.930	2	115.0767	5.397	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2H)(CCHO)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H){4|H<1>}	117.9881	1.495	7	117.9881	2.234	7	116.4907	12.728	9	116.4907	12.728	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:1:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H)	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C)	C[5](C[5]N[5]CH)(C[5]C[5]C)(CCCH)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CCHH)(CHHO)(H)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]C){1|C<4>,1|H<1>,1|S<4>}	111.2495	4.216	2	111.2495	17.779	2	116.4907	12.728	9	116.4907	12.728	9	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:2:	3:4:2:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5,6a]-3:C[5]-4:C-2:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]C)(CCCO)(H){2|C<3>}	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CC){1|O<2>,2|C<3>,2|H<1>}	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	113.2970	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:2:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H)	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(NCH)	C[5](C[5]C[5]HH)(C[5]C[5]N)(CCCO)(H){1|C<3>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(OH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(NCH){4|H<1>}	114.6270	0.000	1	114.6270	0.000	1	114.6270	0.000	1	114.6270	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:2:	4:4:3:	C[5,5,6]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H)	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C)	C[5](C[5,5,6]C[5,5,6]2H)(C[5]C[5]2)(CCCO)(H){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C(C[5]C[5,5,6]C[5]H)(CCHH)(CH3)(OH)	C[5](C[5]C[5,5,6]CH)(C[5]C[5]O[5]H)(C[5]C[5,5,6]C){1|C<3>,3|H<1>,4|C<4>}	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	114.4863	0.843	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:2:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:N-2:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCN)(H)	C(C[5]C[5]2H)(CH3)2(NN)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHS)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCCN)(H){1|S<4>,2|H<1>}	C(C[5]C[5]2H)(CH3)2(NN)	C[5](C[5]C[5]CH)(C[5]N[5]HH)(CHS){1|S<4>,2|H<1>}	114.8460	0.000	1	114.8460	0.000	1	114.8460	0.000	1	114.4863	0.843	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:2:	4:4:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H)	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2H)(CCHH)(CH3)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	113.4430	0.000	1	113.4430	0.000	1	113.4430	0.000	1	114.4863	0.843	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:3:	3:4:1:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-3:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)(H)	C(C[5]C[5]2H)(CH3)2(CHO)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)(H){1|C<3>,1|O<1>}	C(C[5]C[5]2H)(CH3)2(CHO)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(O){1|O<1>,2|C<3>,2|H<1>}	115.3290	0.000	1	115.3290	0.000	1	115.3290	0.000	1	115.3290	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:4:	3:4:2:	C[5,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5a]-3:C[5]-4:N[5]-2:	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]N[5])(CC3)(H)	C(C[5]C[5,5]C[5]H)(CH3)3	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(N[5]N[5])	C[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5a]N[5])(CC3)(H){1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C(C[5]C[5,5]C[5]H)(CH3)3	C[5](C[5a]C[5a]S[5a])(C[5]C[5,5]CH)(N[5]N[5]){1|H<1>,5|C<3>}	115.2110	0.000	1	115.2110	0.000	1	115.2110	0.000	1	115.2110	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:4:	4:3:3:	C[3,5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:C-4:C-4:	C[5]-4:C[5]-3:C-3:	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(CC3)(H)	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	C[5](C[5]C[3,5]CH)(C[5]C[5]O)(CCN)	C[5](C[3,5]C[3]2C[5])(C[5]C[5]C)(CC3)(H){2|Cl<1>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[3,5]C[5]H)(CCHH)(CH3)2	C[5](C[5]C[3,5]CH)(C[5]C[5]O)(CCN){2|C<4>,2|H<1>}	112.6640	0.000	1	112.6640	0.000	1	112.6640	0.000	1	114.0980	1.939	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:1:	4:4:4:4:	4:3:3:	C[5]-4:C[5]-3:C-4:H-1:	C[5]-4:C-4:S-4:S-4:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H)	C(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]O[5]HO)(C[5]C[5]C)(CCSS)(H){1|O<1>}	C(C[5]C[5]2H)(CC[6a]HH)(SC[6a]OO)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]H){1|H<1>,1|O<2>}	114.8150	0.891	2	114.8150	0.794	2	114.8150	0.794	2	114.0980	1.939	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)(OH){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|C<4>,3|H<1>}	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	111.6700	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CO)(N[5]O[5]H)(O)	C[5](C[5]O[5]HH)(C[5]N[5]O)(CC[6a]HH)(OH){1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CO)(N[5]O[5]H)(O){2|H<1>}	110.3285	0.050	2	110.3285	0.003	2	110.3285	0.003	2	110.3285	0.003	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	3:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CO)(C[5]N[5]C)(CC[6a]2){1|C<3>,1|H<1>,1|O<1>}	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	110.8080	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	3:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CC[6a]HH)(OH){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CO)(C[5]O[5]HH)(CC[6a]H){2|H<1>}	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	114.2890	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	3:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC)	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(OC){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2O)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(H){4|H<1>}	113.9625	0.144	2	113.9625	0.021	2	113.9625	0.021	2	113.9625	0.021	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	3:4:3:1:	3:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH)	C(C[6a]C[6a]2)(C[5]C[5]2O)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(OH){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2O)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){2|C<3>,3|H<1>}	109.7730	1.403	2	109.7730	1.968	2	109.7730	1.968	2	109.7730	1.968	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	3:4:3:1:	4:2:1:	C[5]-4:C[5]-3:C-4:S-2:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(SC)	C(C[6a]C[6a]2)(C[5]C[5]2S)(NCH)(H)	C[5](C[5]C[5]CS)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(SC){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2S)(NCH)(H)	C[5](C[5]C[5]CS)(O[5]C[5])(O){4|H<1>}	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	112.0830	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	3:4:3:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CN)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CN){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	109.3764	2.213	13	109.3764	4.899	13	109.3764	4.899	13	109.3764	4.899	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	3:4:4:1:	3:4:1:	C[5]-4:C[5]-3:C-4:N-2:	C[5a]-3:C[5]-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN)	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)(NN){2|C<3>}	C(C[5a]C[5a]S[5a])(C[5]C[5]2N)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O){2|C<3>,3|H<1>}	113.7380	0.000	1	113.7380	0.000	1	113.7380	0.000	1	113.7380	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]CO)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)(OH){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]C[6])(C[5]C[5]CO)(H){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	113.5010	0.000	1	113.5010	0.000	1	113.5010	0.000	1	113.0965	0.327	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](N[5]C[5,6]H)(C[5]C[5]CO)(O)	C[5](C[5]C[5,6]HO)(C[5]N[5]O)(CH3)(OH){1|H<1>,2|C<4>}	C(C[5]C[5]2O)(H)3	C[5](N[5]C[5,6]H)(C[5]C[5]CO)(O){1|H<1>,1|O<2>,2|C<4>}	112.6920	0.000	1	112.6920	0.000	1	112.6920	0.000	1	113.0965	0.327	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:C-3:	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C)	C[5](C[5]C[5,6a]HS)(C[5]C[5,6a]C)(CH3)(OH){2|C<3>}	C(C[5]C[5]2O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(CC[6a]C){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	112.2510	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:N-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN)	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NN){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	113.8100	1.269	2	113.8100	1.609	2	113.8100	1.609	2	112.1006	4.792	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:Cl-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH)	C(C[5]C[5,6]C[5]O)(Cl)(H)2	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CClHH)(OH){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]O)(Cl)(H)2	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	112.1006	4.792	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OC){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	112.6310	0.000	1	112.6310	0.000	1	112.9353	0.083	3	112.1006	4.792	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(OH){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	113.2050	0.000	1	113.2050	0.000	1	112.9353	0.083	3	112.1006	4.792	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(OH){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	112.9700	0.000	1	112.9700	0.000	1	112.9353	0.083	3	112.1006	4.792	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CC)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CC){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	112.5400	0.000	1	112.5400	0.000	1	112.5400	0.000	1	112.1006	4.792	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(O[5]C[5,5])(O)	C[5](C[5]C[5,5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|O<2>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(O[5]C[5,5])(O){1|C<4>,1|H<1>,2|O<2>}	109.2540	0.922	2	109.2540	0.850	2	111.6723	8.254	6	112.1006	4.792	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C[5](C[5]C[5]CO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|H<1>,1|O<2>,2|C<4>}	114.1360	0.000	1	114.1360	0.000	1	111.6723	8.254	6	112.1006	4.792	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	112.4633	3.223	3	112.4633	10.389	3	111.6723	8.254	6	112.1006	4.792	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:1:	P[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH)	C(C[5]C[5]P[5]O)(H)3	C[5](C[5]P[5]CO)(O[5]C[5])(O)	C[5](P[5]C[5]OO)(C[5]O[5]O)(CH3)(OH){1|C<3>,1|C<4>}	C(C[5]C[5]P[5]O)(H)3	C[5](C[5]P[5]CO)(O[5]C[5])(O){1|C<3>,1|C<4>,2|O<1>}	109.0150	0.000	1	109.0150	0.000	1	109.0150	0.000	1	112.1006	4.792	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:2:3:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CCH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]C)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(CCH){1|C<3>,1|C<4>,2|H<1>}	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	113.0620	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5]C[5,6]CO)(C[5]C[5]C)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)(OH){1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5]C[5,6]CO)(C[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>}	107.8360	0.000	1	107.8360	0.000	1	107.8360	0.000	1	111.3435	6.736	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH)	C(C[5]C[5]2O)(F)3	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(OH){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2O)(F)3	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,1|O<2>,2|H<1>}	111.7650	0.024	2	111.7650	0.001	2	111.7650	0.001	2	111.3435	6.736	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	106.1560	0.194	2	106.1560	0.038	2	106.1560	0.038	2	111.3435	6.736	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)(OH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	112.6474	1.095	10	112.6474	1.199	10	112.6474	1.199	10	111.3435	6.736	15	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[5]CH)(C[5]C[5]N)(CH3)(CN)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C[5](C[5]C[5]CH)(C[5]C[5]N)(CH3)(CN){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	112.0405	4.082	2	112.0405	16.664	2	111.9737	8.459	4	112.5336	7.911	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CH3)(CN){2|H<1>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	111.9070	2.949	2	111.9070	8.694	2	111.9737	8.459	4	112.5336	7.911	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]O)(CHH)	C[5](C[5]N[5]CC)(C[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]N[5]O)(CHH){1|C<3>,2|C<4>}	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	112.5336	7.911	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(OH){1|O<2>,2|C<4>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|H<1>}	112.3100	0.363	4	112.3100	0.132	4	112.3100	0.132	4	112.3100	0.132	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O)	C[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CH3)(OH){4|C<4>}	C(C[5]C[5]2O)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CO)(O){2|C<3>,2|C<4>,3|H<1>}	109.7725	0.486	2	109.7725	0.236	2	108.9400	1.017	4	110.1440	9.626	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]CO)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CH3)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[5]C[5]2O)(H)3	C[5](C[5,6]C[5,6]O[6]C)(C[5]C[5]CO)(O){1|C<3>,2|C<4>,2|H<1>}	108.1075	0.206	2	108.1075	0.042	2	108.9400	1.017	4	110.1440	9.626	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CC)(C[5]C[5]O)(CH3)(OH){4|H<1>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	106.7420	0.000	1	106.7420	0.000	1	110.8320	14.017	7	110.1440	9.626	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|H<1>,3|C<4>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){2|C<4>,2|H<1>}	110.3490	0.000	1	110.3490	0.000	1	110.8320	14.017	7	110.1440	9.626	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)(OH){1|C<4>,3|H<1>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CO)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	109.8643	4.265	3	109.8643	18.187	3	110.8320	14.017	7	110.1440	9.626	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){2|C<3>,2|H<1>}	114.6460	0.000	1	114.6460	0.000	1	110.8320	14.017	7	110.1440	9.626	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH)	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]CO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(OH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[5]C[5]2O)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]CO)(O){2|C<3>,2|H<1>}	114.4940	0.000	1	114.4940	0.000	1	110.8320	14.017	7	110.1440	9.626	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:1:1:1:	4:4:3:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:C-3:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH)	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C)(CH3)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C(C[5]C[5,6]C[5]O)(H)3	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]CO)(CCH){2|C<3>,2|C<4>,3|H<1>}	112.9005	5.090	2	112.9005	25.913	2	112.9005	25.913	2	112.9005	25.913	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:2:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH)	C(C[5]C[5]2O)(OH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHHO)(OH){1|C<4>,1|H<1>}	C(C[5]C[5]2O)(OH)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	107.9303	0.444	3	107.9303	0.197	3	107.9303	0.197	3	107.9303	0.197	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:2:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CHHO)(OC){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]H)(O){1|C<3>,1|H<1>,2|O<2>}	106.3790	0.000	1	106.3790	0.000	1	106.3790	0.000	1	106.3790	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:2:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OC){1|C<4>,3|H<1>}	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H){4|H<1>}	111.4260	0.000	1	111.4260	0.000	1	111.4969	1.886	7	111.4969	1.886	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:2:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH)	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CHHO)(OH){1|C<4>,3|H<1>}	C(C[5]C[5]2O)(OC)(H)2	C[5](C[5]C[5]CH)(C[5]C[5]CO)(CC[5]H){4|H<1>}	111.5087	1.504	6	111.5087	2.262	6	111.4969	1.886	7	111.4969	1.886	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(CN){2|C<3>}	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	110.8760	0.000	1	110.8760	0.000	1	110.8760	0.000	1	111.1053	2.197	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH)	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O)	C[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)(OH){2|C<3>}	C(C[5]C[5]2O)(CCH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CO)(O){1|H<1>,1|O<2>,3|C<3>}	109.7510	0.000	1	109.7510	0.000	1	109.7510	0.000	1	111.1053	2.197	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH)	C(C[5]C[5]2O)(CCO)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O)	C[5](C[5]C[5,5]C[6a]O)(C[5]N[5,5]O)(CCHH)(OH){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5]2O)(CCO)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CO)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	112.6890	0.000	1	112.6890	0.000	1	112.6890	0.000	1	111.1053	2.197	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH)	C(C[5]C[5,6]C[5]O)(CCO)(H)2	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(OH){2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]O)(CCO)(H)2	C[5](C[5]C[5,6]CO)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	113.5200	0.000	1	113.5200	0.000	1	113.5200	0.000	1	111.2610	5.929	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5,6a]C[5]N)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O)	C[5](C[5]C[5,6a]C[5]N)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O){1|C<4>,1|N<3>,2|C<3>}	109.2510	0.000	1	109.2510	0.000	1	108.8785	0.278	2	111.2610	5.929	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:N[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]2H)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5])	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O)	C[5](C[5]C[5]2H)(C[5]O[5]O)(CC[6a]HH)(N[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C(C[5]C[5]2N[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[5]N[5]C)(O[5]C[5])(O){1|C<3>,1|H<1>,2|C<4>}	108.5060	0.000	1	108.5060	0.000	1	108.8785	0.278	2	111.2610	5.929	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	C(C[5]C[5]2O)(CCO)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){1|C<4>,1|H<1>}	C(C[5]C[5]2O)(CCO)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	113.9000	0.000	1	113.9000	0.000	1	113.9000	0.000	1	111.2610	5.929	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:2:1:	C[6]-4:C[5]-3:C-4:O[5]-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:N[5]-2:O-1:	C[5](C[6]C[6,6a]N[6]H)(C[5]N[5]O)(CC[6a]HH)(O[5]C[5])	C(C[5]C[5]C[6]O[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]O[5]C)(N[5]C[5])(O)	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>}	C(C[5]C[5]C[6]O[5])(C[6a]C[6a]2)(H)2	C[5](C[5]C[6]O[5]C)(N[5]C[5])(O){1|H<1>,1|N<3>,2|C<3>}	111.1280	0.000	1	111.1280	0.000	1	111.1280	0.000	1	111.2610	5.929	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]H)(CC[6a]HH)(OH){3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]N[6a])(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]H)(H){2|C<4>,2|H<1>}	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	111.4150	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCHH)(CN){2|H<1>,3|C<3>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(NHH){1|C<3>,3|H<1>}	112.3210	4.624	2	112.3210	21.386	2	112.3210	21.386	2	113.3663	13.971	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH)	C(C[5]C[5]2O)(COO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(OH){1|C<2>,1|C<3>,1|C<4>}	C(C[5]C[5]2O)(COO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(CC[6a]O){1|C<2>,1|C<3>,2|H<1>}	115.4570	0.000	1	115.4570	0.000	1	115.4570	0.000	1	113.3663	13.971	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH)	C(C[5]C[5,6]C[5]O)(CCH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)(OH){1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]O)(CCH)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	108.0410	0.000	1	108.0410	0.000	1	108.0410	0.000	1	111.4417	5.466	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH)	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)(OH){2|C<4>,5|H<1>}	C(C[5]C[5,6]C[5]O)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CO)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	111.7700	0.000	1	111.7700	0.000	1	111.7700	0.000	1	111.4417	5.466	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH)	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(OH){2|C<4>,2|H<1>}	C(C[5]C[5]2O)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){1|C<4>,3|H<1>}	112.9780	0.065	2	112.9780	0.004	2	112.9780	0.004	2	111.4417	5.466	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-3:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH)	C(C[5]C[5]2O)(COO)(OH)(H)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHO)(OH){1|C<4>,1|O<1>}	C(C[5]C[5]2O)(COO)(OH)(H)	C[5](C[5]C[5]CO)(N[5]C[5]C)(O){1|O<1>,2|H<1>}	108.5390	2.565	2	108.5390	6.581	2	108.5390	6.581	2	108.5390	6.581	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:3:4:1:	3:4:1:	C[5]-4:C[5]-3:C-4:Se-2:	C[5]-4:C[6a]-3:C-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(SeC[6a])	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(SeC[6a]){2|C<3>}	C(C[5]C[5]2Se)(C[6a]C[6a]2)(CHHN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]SeC)(O){2|C<3>,3|H<1>}	115.1823	0.827	3	115.1823	0.683	3	115.1823	0.683	3	115.1823	0.683	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH)	C(C[5]C[5]2O)(CHHO)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(OH){1|H<1>,2|C<3>}	C(C[5]C[5]2O)(CHHO)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(O){3|C<3>,3|H<1>}	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	110.4630	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	C(C[5]C[5]2O)(CCCO)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){2|C<4>}	C(C[5]C[5]2O)(CCCO)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|H<1>,3|C<4>}	108.2520	0.000	1	108.2520	0.000	1	110.5900	8.581	3	109.4203	5.516	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH)	C(C[5]C[5]2O)(CH3)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)(OH){1|C<4>,1|H<1>}	C(C[5]C[5]2O)(CH3)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O){2|C<4>,2|H<1>}	111.7590	2.994	2	111.7590	8.963	2	110.5900	8.581	3	109.4203	5.516	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi)	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[5]HH)(OSi){2|C<4>}	C(C[5]C[5]O[5]C)(C[5]C[5]2O)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|H<1>,3|C<4>}	107.1680	0.000	1	107.1680	0.000	1	107.1680	0.000	1	109.4203	5.516	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[6]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH)	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]HH)(OH){2|C<4>}	C(C[5]C[5]2O)(C[6]C[6]2O)(H)2	C[5](C[5]C[5]CO)(O[5]C[5])(O){1|H<1>,3|C<4>}	108.7920	0.670	2	108.7920	0.449	2	108.7920	0.449	2	109.4203	5.516	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH)	C(C[5]C[5]2O)(CC[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(OH){1|C<4>,1|O<1>}	C(C[5]C[5]2O)(CC[5]HH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(H){1|O<1>,2|H<1>}	110.3100	0.000	2	110.3100	0.000	2	110.3100	0.000	2	110.6320	0.311	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH)	C(C[5]C[5]2O)(CC[5]CO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(O)	C[5](C[5]C[5]C[6]H)(C[5]C[5]O)(CCHH)(OH){1|H<1>,1|O<2>,3|C<4>}	C(C[5]C[5]2O)(CC[5]CO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]C)(O){1|C<4>,2|H<1>}	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	110.6320	0.311	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCN)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){3|H<1>}	C(C[5]C[5]2O)(CCHH)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCN){1|C<3>,1|C<4>,2|H<1>}	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.8060	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:3:4:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5]-4:C[3]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH)	C(C[5]C[5,5]C[5]O)(C[3]C[3]2H)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CC[3]HH)(OH){2|C<3>,3|H<1>}	C(C[5]C[5,5]C[5]O)(C[3]C[3]2H)(H)2	C[5](C[5]C[5,5]CO)(C[5]C[5,5]H)(CH3){1|H<1>,3|C<3>}	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	111.1205	1.685	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH)	C(C[5]C[5]2O)(CCHO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	C(C[5]C[5]2O)(CCHO)(H)2	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH){1|C<3>,1|C<4>,1|O<1>}	110.9640	1.543	3	110.9640	2.380	3	110.9640	2.380	3	111.1205	1.685	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:4:1:	C[5,6,6]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH)	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	C[5](C[5]C[5,6,6]CO)(C[5]C[5,6]HH)(O)	C[5](C[5,6,6]C[5,6]C[6,6]C[6])(C[5]C[5]O)(CCHH)(OH){1|N<3>,1|O<2>,3|C<4>,5|H<1>}	C(C[5]C[5,6,6]C[5]O)(CCHH)(H)2	C[5](C[5]C[5,6,6]CO)(C[5]C[5,6]HH)(O){1|H<1>,3|C<4>}	107.6840	0.000	1	107.6840	0.000	1	107.6840	0.000	1	106.4600	1.953	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CN)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CN){4|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	106.1540	1.407	4	106.1540	1.980	4	106.1540	1.980	4	106.4600	1.953	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CHH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]C)(CCHH)(CN){1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CHH){1|C<3>,1|H<1>,1|S<4>}	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	110.3190	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:2:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH)	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O)	C[5](C[5,5]C[3x5]O[5]O)(C[5]N[5,5]O)(CCHO)(OH){1|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]O)(CH3)(OH)(H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]CO)(O){3|O<2>,4|C<4>}	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	113.1190	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH)	C(C[5]C[5]2O)(CH3)(OC)(H)	C[5](C[5]C[5]CO)(O[5]C[5,5])(O)	C[5](C[5]C[5,5]HH)(C[5]O[5]O)(CCHO)(OH){2|C<4>}	C(C[5]C[5]2O)(CH3)(OC)(H)	C[5](C[5]C[5]CO)(O[5]C[5,5])(O){2|C<4>,2|H<1>}	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	117.2280	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH)	C(C[5]C[5]2O)(CCHH)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHO)(OH){2|H<1>}	C(C[5]C[5]2O)(CCHH)(OH)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(O){1|O<2>,2|H<1>}	110.9170	0.174	2	110.9170	0.030	2	110.9170	0.030	2	110.9170	0.030	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:2:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C-4:O-2:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN)	C(C[5]C[5]2C)(CCHH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CSiH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHO)(CN){4|H<1>}	C(C[5]C[5]2C)(CCHH)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CSiH){1|C<4>,3|H<1>}	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	109.7800	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:3:1:	3:4:1:	C[5]-4:C[5]-3:C-4:N-2:	C[5]-4:C-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN)	C(C[5]C[5]2N)(CHHN)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(NN){2|C<3>}	C(C[5]C[5]2N)(CHHN)(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(O){2|C<3>,3|H<1>}	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	108.5110	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:3:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C-4:N-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CN)	C(C[5]C[5]2C)(CCHH)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CN){4|H<1>}	C(C[5]C[5]2C)(CCHH)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	106.8380	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH)	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]Br)(H)	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCCH)(OH){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]Br)(H){1|O<1>,2|C<4>}	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	111.8220	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:4:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-2:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:N-3:	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN)	C(C[5]C[5]2C)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]O[5]C)(NHH)	C[5](C[5]C[6a]O[5]H)(C[5]C[5]N)(CCCH)(CN){3|C<3>}	C(C[5]C[5]2C)(CH3)2(H)	C[5](C[5]C[5]CC)(C[5]O[5]C)(NHH){1|C<3>,1|H<1>}	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	115.2810	0.710	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:4:1:	4:3:3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH)	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCCH)(OH){3|H<1>}	C(C[5]C[5]2O)(CCHH)(CH3)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCO){4|H<1>}	115.8770	0.000	1	115.8770	0.000	1	115.8770	0.000	1	115.2810	0.710	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:2:	4:4:4:2:	4:4:3:	C[5]-4:C[5]-3:C-4:O-2:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH)	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCCO)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2O)(CCHH)(CH3)(OH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]C){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	116.3350	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:3:4:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(COO)	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(COO){4|H<1>}	C(C[6a]C[6a]2)2(C[5]C[5]2C)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CN)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,1|H<1>,1|S<2>}	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CN)(O){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	109.5880	0.000	1	109.5880	0.000	1	109.6710	0.014	2	109.6710	0.014	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CN)(O)	C[5](C[5]N[5,5]C[6a]H)(C[5]N[5,5]O)(CC[6a]HH)(NCH){1|C<4>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]CN)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.7540	0.000	1	109.7540	0.000	1	109.6710	0.014	2	109.6710	0.014	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5a]HH)(COO)	C(C[5a]C[5a]N[5a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[5a]HH)(COO){1|C<3>}	C(C[5a]C[5a]N[5a])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,2|H<1>}	108.5800	0.000	1	108.5800	0.000	1	108.5800	0.000	1	109.0434	0.726	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:N-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](C[5]C[5]CN)(O[5]N[5])(O)	C[5](C[5]C[6a]N[5]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2N)(H)2	C[5](C[5]C[5]CN)(O[5]N[5])(O){1|C<3>,1|C<4>,1|H<1>}	109.1207	0.906	6	109.1207	0.821	6	109.1207	0.821	6	109.0434	0.726	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,3|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	114.6040	0.000	2	114.6040	0.000	2	114.6040	0.000	2	112.9287	8.420	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CC[6a]HH)(COO){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|O<2>,3|H<1>}	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	112.9287	8.420	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CC[6a]HH)(COO){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[3,5]C[3,5]C[3,6]H)(C[5]C[5]CC)(O){1|C<3>,1|C<4>,3|H<1>}	101.7360	0.000	1	101.7360	0.000	1	101.7360	0.000	1	101.7360	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:2:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C-2:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CN)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[6a]CH)(COO){1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CN)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	108.5910	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:2:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	110.8920	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:3:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C-3:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)(COO){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	107.7730	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:3:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HN)(CCO){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O){4|H<1>}	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	111.2560	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:3:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(CCO){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	111.6460	0.000	1	111.6460	0.000	1	111.2493	0.491	3	111.2493	0.491	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:3:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(COO){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	111.0510	0.864	2	111.0510	0.747	2	111.2493	0.491	3	111.2493	0.491	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:4:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5a]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[5a]CH)(COO)	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CC[5a]CH)(COO){1|H<1>,2|C<4>}	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|O<2>,3|C<4>,3|H<1>}	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	111.3090	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:4:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(CCO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(CCO){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O){4|H<1>}	111.6390	0.000	1	111.6390	0.000	1	110.5385	2.422	2	110.5385	2.422	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:4:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)(COO){2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O){4|H<1>}	109.4380	0.000	1	109.4380	0.000	1	110.5385	2.422	2	110.5385	2.422	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5a]-3:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]CH)(COO)	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]CH)(COO){1|C<4>,2|H<1>}	C(C[5a]C[5a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){4|H<1>}	114.6830	0.000	1	114.6830	0.000	1	114.6830	0.000	1	114.6830	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:4:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCHN)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	113.2660	0.000	1	113.2660	0.000	1	111.9961	5.917	13	111.9961	5.917	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	3:4:4:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[6a]-3:C[5]-4:C-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(COO){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CHHN)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	111.8902	2.509	12	111.8902	6.296	12	111.9961	5.917	13	111.9961	5.917	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:F-1:F-1:F-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CF3)(COO)	C(C[5]C[5]2C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CF3)(COO){2|C<3>}	C(C[5]C[5]2C)(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	109.6220	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	3:4:2:	C[5,5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:N-2:	C[5](C[5,5]C[5]N[5]S[5])(C[5]N[5]N)(CH3)(COO)	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CC)(NC[6a])	C[5](C[5,5]C[5]N[5]S[5])(C[5]N[5]N)(CH3)(COO){1|C<4>,4|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CC)(NC[6a]){1|N<3>,1|S<2>,3|C<3>}	114.9705	0.725	2	114.9705	0.525	2	114.9705	0.525	2	114.9705	0.525	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH)	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NCH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O){1|C<3>,1|H<1>,2|C<4>}	107.3470	0.228	2	107.3470	0.052	2	107.7496	0.186	5	108.4379	5.470	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH)	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)(NHH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O){1|C<3>,1|H<1>,2|C<4>}	107.9760	0.376	2	107.9760	0.142	2	107.7496	0.186	5	108.4379	5.470	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH)	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]O[6]H)(C[5]O[5]O)(CH3)(NCH){1|H<1>,2|C<4>}	C(C[5]C[5,6]C[5]N)(H)3	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O){1|C<4>,1|O<2>,2|H<1>}	108.1020	0.000	1	108.1020	0.000	1	107.7496	0.186	5	108.4379	5.470	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)(CCH){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	106.7100	0.000	1	106.7100	0.000	1	106.7100	0.000	1	108.4379	5.470	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:H-1:	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(N[5]C[5])(H)	C[5](C[5]C[5a]C[5]H)(C[5]N[5]H)(CH3)(NOO){1|H<1>,3|C<3>}	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(N[5]C[5])(H){2|C<3>,2|H<1>}	113.6070	0.000	1	113.6070	0.000	1	113.6070	0.000	1	108.4379	5.470	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:2:3:	C[5,5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]C)(CH3)(CCO)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(CCC)	C[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]C)(CH3)(CCO){1|H<1>,4|C<4>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(CCC){2|C<4>,2|H<1>}	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	116.1600	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:3:1:	C[3,5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)(COO)	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)(CH3)(COO){1|C<3>,1|C<4>,2|H<1>}	C(C[5]C[3,5]C[5]C)(H)3	C[5](C[5]C[3,5]CC)(C[5]C[3,5]C)(H){1|C<4>,2|H<1>}	112.5250	0.000	1	112.5250	0.000	1	112.5250	0.000	1	110.3342	2.845	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CH3)(COO)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H)	C[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]H)(CH3)(COO){2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5,6]H)(H){1|C<4>,1|H<1>,2|O<2>}	110.0890	0.000	1	110.0890	0.000	1	110.0890	0.000	1	110.3342	2.845	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(COO)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CF3)(COO){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	110.3342	2.845	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HO)(C[5]N[5]O)(CH3)(COO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HO)(C[5]N[5]O)(CH3)(COO){1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	110.3060	0.000	1	110.3060	0.000	1	110.3060	0.000	1	110.3342	2.845	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:4:1:	C[5,5,6]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(COO)	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CC)(O)	C[5](C[5,5,6]C[5,5,6]C[5,6a]C[6])(C[5]C[5,6]O)(CH3)(COO){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,5,6]C[5]C)(H)3	C[5](C[5,6]C[5,5,6]N[6]C)(C[5]C[5,5,6]CC)(O){1|N<2>,2|C<3>,2|C<4>}	110.3530	0.000	1	110.3530	0.000	1	110.3530	0.000	1	111.0763	5.459	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CCO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CCO){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	111.2390	0.000	1	111.2390	0.000	1	110.8040	7.729	4	111.0763	5.459	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CHN){1|C<4>,3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){4|H<1>}	112.5720	0.989	2	112.5720	0.977	2	110.8040	7.729	4	111.0763	5.459	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CNO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]ClC)(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)(CNO){1|Cl<1>,1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]ClC)(C[5]C[5]CC)(O){4|H<1>}	106.8330	0.000	1	106.8330	0.000	1	110.8040	7.729	4	111.0763	5.459	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH)	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]CO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)(NCH){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5]2N)(H)3	C[5](C[5]C[5]CN)(C[5]C[5]CO)(O){2|C<3>,2|H<1>}	112.8890	0.000	1	112.8890	0.000	1	112.8890	0.000	1	111.0763	5.459	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(CNO)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]2)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)(CNO){4|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]2){4|H<1>}	115.5830	0.000	1	115.5830	0.000	1	115.5830	0.000	1	115.5830	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:2:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-2:H-1:H-1:	N[5,5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCHH)(COO)	C(C[5]C[5]2C)(CN)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5,5]O)(CCHH)(COO){1|H<1>,2|C<4>}	C(C[5]C[5]2C)(CN)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	110.7310	2.172	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:2:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:S-2:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(CHHS)(COO)	C(C[5]C[5]2C)(SC[6a])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6]C[6a]H)(C[5]N[5,6]O)(CHHS)(COO){1|C<2>,4|C<3>}	C(C[5]C[5]2C)(SC[6a])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(O){1|C<2>,2|H<1>,3|C<3>}	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	110.7310	2.172	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:2:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-2:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(COO)	C(C[5]C[5]2C)(CC)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)(COO){1|C<3>}	C(C[5]C[5]2C)(CC)(H)2	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,2|H<1>}	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	109.8280	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCHH)(COO)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,5a]CH)(C[5]C[5,5a]O)(CCHH)(COO){1|C<3>,1|N<3>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]CC)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	104.8720	0.000	1	104.8720	0.000	1	104.8720	0.000	1	104.8720	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:3:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]N[5,5]C[3]C[5])(C[5]O[5]O)(CC[6a]HH)(NCH)	C(C[5]C[5,5]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CN)(O[5]N[5,5])(O)	C[5](C[5,5]N[5,5]C[3]C[5])(C[5]O[5]O)(CC[6a]HH)(NCH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,5]CN)(O[5]N[5,5])(O){1|C<4>,2|C<3>}	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	109.5630	4.197	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:3:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:N-3:	C[5]-4:C[6a]-3:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH)	C(C[5]C[5,6]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)(NCH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]N)(C[6a]C[6a]2)(H)2	C[5](C[5]C[5,6]CN)(O[5]C[5,6])(O){1|C<3>,1|H<1>,2|C<4>}	110.7450	0.110	2	110.7450	0.012	2	110.7450	0.012	2	109.5630	4.197	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:3:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(COO)	C(C[5]C[5,6]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]C)(C[5]N[5]O)(CCHH)(COO){1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]C)(CCH)(H)2	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O){1|C<3>,1|H<1>,2|C<4>}	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	111.7463	4.007	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(COO)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)(COO){1|H<1>,2|C<3>}	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<3>,3|H<1>}	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	111.7463	4.007	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:N-3:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHHN)(COO)	C(C[5]C[5]2C)(NHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CHHN)(COO){2|C<3>,3|H<1>}	C(C[5]C[5]2C)(NHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]H)(O){1|C<3>,3|H<1>}	113.1150	0.000	1	113.1150	0.000	1	113.1150	0.000	1	111.7463	4.007	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CCHH)(COS)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CCHH)(COS){1|C<3>,3|C<4>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	111.5703	1.381	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO)	C(C[5]C[5]2C)(CCO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	C(C[5]C[5]2C)(CCO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<3>,3|H<1>}	112.2290	0.399	2	112.2290	0.159	2	112.2290	0.159	2	111.5703	1.381	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:3:3:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-3:N-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CCO)	C(C[5]C[5]2C)(CCH)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)(CCO){4|H<1>}	C(C[5]C[5]2C)(CCH)(NCH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	109.7760	0.000	2	109.7760	0.000	2	109.7760	0.000	2	109.7760	0.000	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(COO)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){3|H<1>,4|C<4>}	109.0920	0.000	1	109.0920	0.000	1	109.9132	0.537	6	109.4144	2.421	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(COO)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6,6]C[5,6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){3|H<1>,4|C<4>}	109.2580	0.000	1	109.2580	0.000	1	109.9132	0.537	6	109.4144	2.421	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6,6]C[6,6]C)(C[5]N[5,6]O)(CCHH)(COO)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6,6]C[6,6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,1|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){1|C<3>,3|C<4>,3|H<1>}	111.0300	0.000	1	111.0300	0.000	1	109.9132	0.537	6	109.4144	2.421	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){1|C<3>,3|C<4>,3|H<1>}	109.8165	0.094	2	110.0330	0.145	3	109.9132	0.537	6	109.4144	2.421	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6,6]C[6]C)(C[5]N[5,6]O)(CCHH)(COO){1|C<3>,2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){3|H<1>,4|C<4>}	110.4660	0.000	1	110.0330	0.145	3	109.9132	0.537	6	109.4144	2.421	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:F-1:F-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCFF)(COO)	C(C[5]C[5]2C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCFF)(COO){2|C<3>}	C(C[5]C[5]2C)(CCFF)(F)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	110.3440	1.741	2	110.3440	3.031	2	110.3440	3.031	2	109.4144	2.421	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(COO)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)(COO){2|C<3>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	110.2530	0.000	1	110.2530	0.000	1	110.2530	0.000	1	109.4144	2.421	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CCHH)(COO)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](N[5]C[5,5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]HH)(C[5]N[5]O)(CCHH)(COO){1|C<3>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](N[5]C[5,5]H)(C[5]C[5]CC)(O){1|C<3>,1|O<2>,2|H<1>}	106.5455	0.725	2	106.5455	0.525	2	107.5177	3.098	3	109.4144	2.421	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(CCO)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)(CCO){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){2|C<3>,4|H<1>}	109.4620	0.000	1	109.4620	0.000	1	107.5177	3.098	3	109.4144	2.421	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:N-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:S[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH)	C(C[5]C[5]2N)(CCCH)(H)2	C[5](C[5]C[5]CN)(S[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]S[5]O)(CCHH)(NCH){2|H<1>}	C(C[5]C[5]2N)(CCCH)(H)2	C[5](C[5]C[5]CN)(S[5]C[5])(O){1|O<2>,3|H<1>}	109.7500	0.643	2	109.7500	0.414	2	109.7500	0.414	2	109.7500	0.414	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(COO)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(COO){1|C<4>,1|O<2>,2|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(O){1|C<3>,1|C<4>,1|H<1>}	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:3:3:	Ge[4,5]-4:C[5]-3:C-4:N-3:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:	C[5](Ge[4,5]C[4,5]C[4]W)(C[5]C[5]N)(CC[5]HH)(NCC)	C(C[5]Ge[4,5]C[5]N)(C[5]C[5]2W)(H)2	C[5](C[5]Ge[4,5]CN)(C[5]C[4,5]N)(NCC)	C[5](Ge[4,5]C[4,5]C[4]W)(C[5]C[5]N)(CC[5]HH)(NCC){1|C<3>,3|N<3>}	C(C[5]Ge[4,5]C[5]N)(C[5]C[5]2W)(H)2	C[5](C[5]Ge[4,5]CN)(C[5]C[4,5]N)(NCC){1|N<3>,1|W<9>,2|C<3>}	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	112.2530	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(CCC)	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(CCC){1|H<1>,3|C<4>}	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CC)(O){3|C<4>,4|H<1>}	107.3805	0.360	2	107.3805	0.130	2	108.5853	4.420	3	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5,6]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(COO)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CCHH)(COO){1|H<1>,3|C<4>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]CC)(O){2|C<4>,5|H<1>}	110.9950	0.000	1	110.9950	0.000	1	108.5853	4.420	3	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CCHH)(CCC)	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CCHH)(CCC){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(O){2|C<4>,2|H<1>}	107.4740	0.404	2	107.4740	0.164	2	108.5149	3.626	18	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<3>,3|H<1>}	107.1060	0.000	1	109.0470	7.535	2	108.5149	3.626	18	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	110.9880	0.000	1	109.0470	7.535	2	108.5149	3.626	18	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)(CCH)	C(C[5]C[5]2C)(CC[6a]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)(CCH){4|H<1>}	C(C[5]C[5]2C)(CC[6a]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|N<3>,2|H<1>}	105.4710	0.000	1	105.4710	0.000	1	108.5149	3.626	18	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){1|H<1>,3|C<4>}	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<4>,2|H<1>}	107.7760	0.000	1	107.7760	0.000	1	108.5149	3.626	18	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){1|C<4>,3|H<1>}	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	108.0390	0.088	2	108.1788	0.237	4	108.5149	3.626	18	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC)	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CCC){2|C<4>,2|H<1>}	C(C[5]C[5]2C)(CHHN)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){2|C<4>,2|H<1>}	108.3185	0.790	2	108.1788	0.237	4	108.5149	3.626	18	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CNO)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(CNO){4|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	109.5495	2.598	6	109.5495	6.749	6	108.5149	3.626	18	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO){4|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	108.2960	0.000	1	108.2960	0.000	1	108.5149	3.626	18	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO)	C(C[5]C[5]2C)(CC[6a]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)(COO){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]2C)(CC[6a]HH)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|H<1>}	108.6710	0.000	1	108.6710	0.000	1	108.5149	3.626	18	108.5250	3.525	21	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:4:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:C-4:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(COO)	C(C[5]C[5]2C)(CCHH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)(COO){2|C<3>}	C(C[5]C[5]2C)(CCHH)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	110.2640	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:4:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CCCH)(CCO)	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]H)(CCCH)(CCO){1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H){1|C<4>,1|H<1>,2|O<2>}	108.8250	0.000	1	108.8250	0.000	1	109.7185	1.597	2	110.0944	2.793	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:4:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(CCCH)(CCO)	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]H)(CCCH)(CCO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]C[5]C)(CC[3]HH)(CH3)(H)	C[5](C[5]C[5,5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|O<2>}	110.6120	0.000	1	110.6120	0.000	1	109.7185	1.597	2	110.0944	2.793	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C-4:C-4:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)(CCO)	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]CO)(C[5]C[5]H)(CCCH)(CCO){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(CC[3]HH)(CH3)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<4>,1|H<1>,2|O<2>}	111.5745	0.182	2	111.5745	0.033	2	111.5745	0.033	2	110.0944	2.793	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:3:	4:4:4:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-3:	C[5]-4:C[5]-4:C-4:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]CH)(COO)	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5]CH)(COO){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(C[5]O[5]2C)(CHHN)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	107.8860	0.000	1	107.8860	0.000	1	107.8860	0.000	1	110.0944	2.793	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:3:4:1:	4:4:1:	C[5]-4:C[5]-3:C-4:P-4:	C[6a]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(PO3)	C(C[6a]C[6a]2)2(C[5]C[5]2P)(H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]2H)(PO3){4|H<1>}	C(C[6a]C[6a]2)2(C[5]C[5]2P)(H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O){4|H<1>}	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	108.1610	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3){2|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	109.5380	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){4|H<1>}	107.8300	0.631	2	107.8300	0.398	2	107.8300	0.398	2	109.3800	7.406	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5]-3:Se-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se){1|C<3>,3|H<1>}	112.4800	0.000	1	112.4800	0.000	1	112.4800	0.000	1	109.3800	7.406	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5,5]C[5])(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	116.4245	0.115	2	116.4245	0.013	2	116.4245	0.013	2	116.4245	0.013	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	108.7945	0.088	2	108.7945	0.008	2	110.2230	6.126	3	110.2230	6.126	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<2>,3|H<1>}	113.0800	0.000	1	113.0800	0.000	1	110.2230	6.126	3	110.2230	6.126	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:2:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){2|C<3>,4|H<1>}	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	109.3600	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:2:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3)	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[5a]C[5a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH){1|C<3>,1|H<1>,2|O<2>}	112.6773	0.619	3	112.6773	0.383	3	112.6773	0.383	3	112.6773	0.383	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:2:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,3|H<1>}	109.8940	0.000	1	109.8940	0.000	1	109.8940	0.000	1	109.8940	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5a]-3:C[5]-4:O-2:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3)	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3){1|C<3>,2|H<1>}	C(C[5a]C[5a]O[5a])(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){4|H<1>}	106.3670	0.000	1	106.3670	0.000	1	106.3670	0.000	1	111.3852	8.147	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3){3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){4|H<1>}	111.2380	0.000	1	111.2380	0.000	1	112.3888	2.629	5	111.3852	8.147	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)2{3|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){4|H<1>}	112.6765	1.719	4	112.6765	2.954	4	112.3888	2.629	5	111.3852	8.147	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:2:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	108.7130	0.000	1	108.7130	0.000	1	108.7130	0.000	1	110.4475	6.017	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:2:1:	4:4:1:	C[5]-4:C[5]-3:C-4:P-4:	C[6a]-3:C[5]-4:C-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(PO3)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2P)(CC)(H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)(PO3){4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2P)(CC)(H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O){4|H<1>}	112.1820	0.000	1	112.1820	0.000	1	112.1820	0.000	1	110.4475	6.017	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:Se-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se){1|C<3>,3|H<1>}	108.3700	0.000	1	108.3700	0.000	1	107.4010	1.878	2	107.4010	1.878	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:3:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[6a]-3:C[5]-4:C-3:H-1:	C[5]-4:N[5]-3:Se-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCH)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se){1|C<3>,3|H<1>}	106.4320	0.000	1	106.4320	0.000	1	107.4010	1.878	2	107.4010	1.878	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	3:4:3:1:	4:4:1:	C[5]-4:C[5]-3:C-4:P-4:	C[6a]-3:C[5]-4:N-3:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(PO3)	C(C[6a]C[6a]2)(C[5]C[5]2P)(NCH)(H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HN)(PO3){4|H<1>}	C(C[6a]C[6a]2)(C[5]C[5]2P)(NCH)(H)	C[5](C[5]C[5]CP)(C[5]C[5]HH)(O){4|H<1>}	108.4250	0.000	1	108.4250	0.000	1	108.4250	0.000	1	108.4250	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[4,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2	C(C[5]C[4,5]C[5]C)(H)3	C[5](N[5,6]C[4,5,6]C[6,6a])(C[5]C[4,5]CC)(O)	C[5](C[4,5]C[4,5,6]C[4]H)(C[5]N[5,6]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[4,5]C[5]C)(H)3	C[5](N[5,6]C[4,5,6]C[6,6a])(C[5]C[4,5]CC)(O){2|C<3>,2|C<4>,2|H<1>}	109.3237	2.168	4	109.3237	4.699	4	109.3237	4.699	4	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[4,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2	C(C[5]C[4,5]C[5]C)(H)3	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]CC)(O)	C[5](C[4,5]C[4,5]C[4]H)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[4,5]C[5]C)(H)3	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]CC)(O){2|C<3>,2|C<4>,2|H<1>}	109.1685	2.165	4	109.1685	4.688	4	109.1685	4.688	4	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]C[3])(C[5]C[5,5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]C[3])(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	106.7625	0.425	2	106.7625	0.181	2	106.7625	0.181	2	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2{1|N<2>,4|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|N<2>,4|C<3>}	109.7050	2.210	2	109.7147	7.910	4	109.2867	9.570	8	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)2{2|N<2>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|N<2>,4|C<3>}	109.7245	4.341	2	109.7147	7.910	4	109.2867	9.570	8	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,6a]C[5,5]H)(C[5]N[5]O)(CH3)2{4|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CC)(O){1|H<1>,4|C<3>}	108.8785	3.060	2	108.8785	9.361	2	109.2867	9.570	8	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5]N[5]2)(C[5]N[5]O)(CH3)2{1|S<1>,2|C<4>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5,5]CC)(O){1|S<1>,2|C<3>,2|N<3>}	108.8390	5.695	2	108.8390	32.433	2	109.2867	9.570	8	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){2|C<3>,2|C<4>,2|H<1>}	107.7200	0.000	1	107.7030	0.001	2	107.7030	0.001	2	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){2|C<3>,2|C<4>,2|H<1>}	107.6860	0.000	1	107.7030	0.001	2	107.7030	0.001	2	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]H)(CH3)2{1|N<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(H){1|C<3>,2|H<1>,3|C<4>}	111.1280	0.676	2	111.1280	0.457	2	111.0293	5.063	4	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:H-1:	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)	C[5](C[5]C[5,6]HO)(C[5]C[5,6]H)(CH3)2{1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	110.9305	3.833	2	110.9305	14.694	2	111.0293	5.063	4	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]C[6])(C[5]C[5]CC)(O){2|C<4>,4|H<1>}	109.1540	1.430	2	109.1540	2.044	2	109.1540	2.044	2	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,3|H<1>}	108.9290	0.742	2	108.5607	1.065	9	108.3170	1.541	10	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	108.8465	2.531	2	108.5607	1.065	9	108.3170	1.541	10	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	108.2990	0.444	5	108.5607	1.065	9	108.3170	1.541	10	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:O-1:	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O)	C[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)(CH3){2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(O){1|O<2>,2|C<3>,2|H<1>}	106.1240	0.000	1	106.1240	0.000	1	108.3170	1.541	10	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:S-1:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(S)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]S)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(S){1|O<2>,2|C<3>,2|H<1>}	110.0945	2.447	2	110.0945	5.989	2	110.0945	5.989	2	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3){1|O<1>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>}	107.4440	0.000	1	107.4440	0.000	1	107.4440	0.000	1	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{3|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(H){3|H<1>,4|C<4>}	108.8455	2.843	4	108.8455	8.080	4	109.0109	2.805	12	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<3>,2|C<4>,2|H<1>}	109.0936	0.960	8	109.0936	0.921	8	109.0109	2.805	12	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	107.7818	2.810	4	107.7818	7.895	4	108.5521	5.647	19	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<4>,2|C<3>,3|H<1>}	108.0695	1.882	4	108.0695	3.540	4	108.5521	5.647	19	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]CO)(C[5]N[5]O)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	109.2110	4.004	2	109.2110	16.029	2	108.5521	5.647	19	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HO)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){2|C<3>,4|H<1>}	109.5950	0.000	1	109.5950	0.000	1	108.5521	5.647	19	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){1|O<1>,2|C<3>,2|H<1>}	108.3948	1.876	4	108.8835	6.454	8	108.5521	5.647	19	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){2|C<3>,2|C<4>,2|H<1>}	109.5605	0.869	2	108.8835	6.454	8	108.5521	5.647	19	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(O){2|H<1>,3|C<3>}	109.1840	5.640	2	108.8835	6.454	8	108.5521	5.647	19	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Se-1:	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(Se)	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(Se){2|C<3>,2|C<4>,2|H<1>}	110.5405	3.174	2	110.5405	10.076	2	110.5405	10.076	2	108.9184	4.558	72	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-2:	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5])	C[5](C[5]C[6a]O[5]O)(C[5]C[6a]N[5])(CH3)2{4|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]O[5]){1|O<2>,2|H<1>,3|C<3>}	112.0635	5.902	2	112.0635	34.836	2	112.0635	34.836	2	112.1522	5.159	22	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:As-2:	C[5](C[5]C[5]HH)(C[5]N[5]As)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(AsC)	C[5](C[5]C[5]HH)(C[5]N[5]As)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(AsC){2|C<3>,2|C<4>,2|H<1>}	112.5422	0.692	6	112.5422	0.479	6	112.5422	0.479	6	112.1522	5.159	22	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-2:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BB)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BB){2|C<3>,2|C<4>,2|H<1>}	111.8135	0.086	2	111.8135	0.007	2	111.8135	0.007	2	112.1522	5.159	22	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Ge-2:	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeN)	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeN){2|C<3>,2|C<4>,2|H<1>}	111.6960	1.232	2	111.6960	1.517	2	111.6960	1.517	2	112.1522	5.159	22	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:P-2:	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC){2|C<3>,2|C<4>,2|H<1>}	112.8077	3.073	4	112.8077	9.445	4	112.0950	7.553	10	112.1522	5.159	22	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:P-2:	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PGe)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PGe){2|C<3>,2|C<4>,2|H<1>}	111.6605	3.412	2	111.6605	11.640	2	112.0950	7.553	10	112.1522	5.159	22	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:P-2:	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PSi)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PSi){2|C<3>,2|C<4>,2|H<1>}	111.5995	2.864	4	111.5995	8.203	4	112.0950	7.553	10	112.1522	5.159	22	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:N-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Co)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Co){2|C<3>,2|H<1>}	111.2350	1.629	2	111.2350	2.654	2	111.3640	11.387	6	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6]-3:C[5]-4:N-3:	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Ni)	C[5](C[5]C[5,6]HH)(C[5]C[5,6]N)(CH3)2{1|C<3>,1|N<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6]C[5,6]N[6])(C[5]C[5]CC)(NC[6a]Ni){2|C<3>,2|H<1>}	111.4285	4.252	4	111.4285	18.078	4	111.3640	11.387	6	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5]-4:N-3:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NAlNi)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CNiHH)(CH3){2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(NAlNi){2|C<3>,3|H<1>}	107.6770	0.000	1	107.6770	0.000	1	107.6770	0.000	1	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBC)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBC){2|C<3>,2|C<4>,2|H<1>}	110.9275	0.436	2	110.9275	0.190	2	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBrN)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBrN){2|C<3>,2|C<4>,2|H<1>}	111.9060	4.320	2	111.9060	18.666	2	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]B){2|C<3>,2|C<4>,2|H<1>}	112.8898	1.692	10	112.8898	2.863	10	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]Cl)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]Cl){2|C<3>,2|C<4>,2|H<1>}	112.8060	2.498	8	112.8060	6.240	8	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]F)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]F){2|C<3>,2|C<4>,2|H<1>}	112.8173	1.750	8	112.8173	3.062	8	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H){2|C<3>,2|C<4>,2|H<1>}	113.2300	2.216	2	113.2300	4.911	2	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C){2|C<3>,2|C<4>,2|H<1>}	111.4185	1.604	4	111.4185	2.573	4	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5])	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]C[5]){2|C<3>,2|C<4>,2|H<1>}	113.9862	2.791	4	113.9862	7.790	4	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]N[6])	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]N[6]){2|C<3>,2|C<4>,2|H<1>}	113.0975	3.850	2	113.0975	14.824	2	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2){2|C<3>,2|C<4>,2|H<1>}	112.1485	0.040	2	112.1485	0.002	2	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClN)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClN){2|C<3>,2|C<4>,2|H<1>}	113.0840	5.127	2	113.0840	26.281	2	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClP)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BClP){2|C<3>,2|C<4>,2|H<1>}	112.9590	1.676	4	112.9590	2.810	4	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]B)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]B){2|C<3>,2|C<4>,2|H<1>}	113.2320	1.435	2	113.2320	2.060	2	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BSeB)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BSeB){2|C<3>,2|C<4>,2|H<1>}	112.1273	1.263	4	112.1273	1.594	4	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BTeB)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BTeB){2|C<3>,2|C<4>,2|H<1>}	112.1110	1.755	4	112.1110	3.079	4	112.6590	4.032	60	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(COO){2|C<3>,2|C<4>,2|H<1>}	109.5295	2.307	2	109.5295	5.324	2	109.5295	5.324	2	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Ge-3:	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeCl2)	C[5](C[5]C[5]HH)(C[5]N[5]Ge)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GeCl2){2|C<3>,2|C<4>,2|H<1>}	110.6863	2.784	4	110.6863	7.750	4	110.6863	7.750	4	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-3:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCC)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCC){2|C<3>,2|C<4>,2|H<1>}	113.1445	1.535	2	113.1445	2.357	2	112.1924	5.681	12	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-3:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiII)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiII){2|C<3>,2|C<4>,2|H<1>}	111.9762	3.647	4	111.9762	13.301	4	112.1924	5.681	12	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-3:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiC)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiC){2|C<3>,2|C<4>,2|H<1>}	112.3895	0.888	4	112.3895	0.789	4	112.1924	5.681	12	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-3:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiH)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiH){2|C<3>,2|C<4>,2|H<1>}	111.2785	3.747	2	111.2785	14.040	2	112.1924	5.681	12	112.2767	5.311	85	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	B[4,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2	C(C[5]B[4,5]C[5]C)(H)3	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3)	C[5](B[4,5]S[4,5]C[6a]C[4])(C[5]C[5]C)(CH3)2{5|C<3>}	C(C[5]B[4,5]C[5]C)(H)3	C[5](C[5]S[4,5]C[6a])(C[5]B[4,5]CC)(CH3){5|C<3>}	109.1150	3.994	2	109.1150	15.950	2	109.1150	15.950	2	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:C-4:	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH)	C[5](C[5]C[5,5]HO)(C[5]C[5]C)(CC[5a]HO)(CH3){1|C<3>,1|C<4>,1|O<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,5]C)(C[5]C[5]CC)(CCHH){1|C<3>,1|H<1>,2|O<2>}	112.1983	0.881	3	112.1983	0.775	3	112.1983	0.775	3	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2{1|B<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	109.9355	3.507	2	109.7840	16.916	4	109.7840	16.916	4	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5,6]HH)(C[5]N[5,6]C)(CH3)2{1|B<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](N[5,6]C[5,6]B[6])(C[5]C[5]CC)(CH3){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	109.6325	6.194	2	109.7840	16.916	4	109.7840	16.916	4	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-4:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBr2H){2|C<3>,2|C<4>,2|H<1>}	111.4520	2.663	2	111.4520	7.091	2	111.5519	13.430	14	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-4:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCHH)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCHH){2|C<3>,2|C<4>,2|H<1>}	110.4865	0.954	2	110.4865	0.910	2	111.5519	13.430	14	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-4:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]Br2){2|C<3>,2|C<4>,2|H<1>}	113.3870	6.931	2	113.3870	48.040	2	111.5519	13.430	14	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-4:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	110.7605	4.397	2	110.7605	19.338	2	111.5519	13.430	14	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-4:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl2N){2|C<3>,2|C<4>,2|H<1>}	112.6430	5.371	2	112.6430	28.850	2	111.5519	13.430	14	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-4:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl3)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BCl3){2|C<3>,2|C<4>,2|H<1>}	112.2090	6.505	2	112.2090	42.320	2	111.5519	13.430	14	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:B-4:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BH3)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BH3){2|C<3>,2|C<4>,2|H<1>}	109.9255	3.038	2	109.9255	9.232	2	111.5519	13.430	14	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Ga-4:	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl2H)	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl2H){2|C<3>,2|C<4>,2|H<1>}	110.1915	2.034	2	110.1915	4.139	2	110.1690	3.801	4	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Ga-4:	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl3)	C[5](C[5]C[5]HH)(C[5]N[5]Ga)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaCl3){2|C<3>,2|C<4>,2|H<1>}	110.1465	2.695	2	110.1465	7.262	2	110.1690	3.801	4	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:P-4:	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2O){2|C<3>,2|C<4>,2|H<1>}	113.1002	4.401	6	113.1002	19.365	6	112.2473	13.088	12	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:P-4:	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PO3){2|C<3>,2|C<4>,2|H<1>}	111.3945	2.772	6	111.3945	7.683	6	112.2473	13.088	12	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]CC)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]CC){2|C<3>,2|C<4>,2|H<1>}	112.8195	0.299	4	112.8195	0.089	4	112.3604	8.793	22	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]HH)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]HH){2|C<3>,2|C<4>,2|H<1>}	111.9670	0.809	4	111.9670	0.654	4	112.3604	8.793	22	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2P)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2P){2|C<3>,2|C<4>,2|H<1>}	113.0550	2.188	2	113.0550	4.786	2	112.3604	8.793	22	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2S)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2S){2|C<3>,2|C<4>,2|H<1>}	111.8110	5.052	6	111.8110	25.525	6	112.3604	8.793	22	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiClCC)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiClCC){2|C<3>,2|C<4>,2|H<1>}	112.5385	0.558	2	112.5385	0.311	2	112.3604	8.793	22	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiClSiC)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiClSiC){2|C<3>,2|C<4>,2|H<1>}	113.0285	1.725	2	113.0285	2.974	2	112.3604	8.793	22	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	N[5]-3:C[5]-4:Si-4:	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiIIN)	C[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiIIN){2|C<3>,2|C<4>,2|H<1>}	112.3360	6.445	2	112.3360	41.532	2	112.3604	8.793	22	111.7256	10.575	61	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]O)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(O){1|C<4>,1|O<2>,2|H<1>}	109.2285	2.948	4	109.2285	8.692	4	109.2285	8.692	4	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6,6]H)(C[5]O[5]O)(CH3)2{1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	108.3905	2.406	2	108.3905	5.790	2	108.6691	3.113	15	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	111.1190	0.000	1	111.1190	0.000	1	108.6691	3.113	15	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	109.3270	2.444	2	108.5113	2.849	12	108.6691	3.113	15	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O){1|C<3>,1|H<1>,2|C<4>}	108.4685	1.562	2	108.5113	2.849	12	108.6691	3.113	15	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{1|H<1>,4|C<4>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O){2|C<4>,2|H<1>}	107.8230	3.772	2	108.5113	2.849	12	108.6691	3.113	15	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CH3)2{2|H<1>,3|C<4>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O){1|H<1>,3|C<4>}	108.4832	1.133	6	108.5113	2.849	12	108.6691	3.113	15	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5])(O){1|C<4>,2|H<1>}	104.0660	0.000	1	104.0660	0.000	1	104.0660	0.000	1	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HO)(CH3){1|C<3>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,3|H<1>}	106.2700	0.000	1	106.2700	0.000	1	108.9692	5.858	13	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)2{1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<3>,2|H<1>}	109.0937	2.460	6	109.0937	6.053	6	108.9692	5.858	13	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O)	C[5](C[5]C[5]HO)(C[5]O[5]O)(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(O){1|C<4>,1|O<2>,2|H<1>}	109.2945	2.531	6	109.2945	6.404	6	108.9692	5.858	13	108.7156	5.109	33	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:2:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:N-2:	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]N)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(NO)	C[5](C[5,5]C[5,5]O[5]O)(C[5]O[5]N)(CH3)2{1|H<1>,2|C<4>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(O[5]C[5,5])(NO){1|C<4>,1|H<1>,2|O<2>}	111.1195	1.317	2	111.1195	1.735	2	111.1195	1.735	2	110.4644	1.183	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:S-2:	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(SC)	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2{1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(SC){1|C<3>,2|H<1>}	110.7182	0.669	4	110.7182	0.448	4	110.7182	0.448	4	110.4644	1.183	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:N-2:	C[5](C[5]C[5]HH)(C[5]O[5]N)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(NS)	C[5](C[5]C[5]HH)(C[5]O[5]N)(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(O[5]C[5])(NS){1|C<4>,3|H<1>}	109.3015	1.175	2	109.3015	1.379	2	109.3015	1.379	2	110.4644	1.183	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>,1|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	110.8905	2.645	2	110.8640	1.698	20	110.8640	1.698	20	110.8640	1.698	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,2|H<1>}	110.8611	1.219	18	110.8640	1.698	20	110.8640	1.698	20	110.8640	1.698	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:2:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5])(CH3){1|C<3>,2|H<1>}	110.8110	4.694	2	110.8110	22.032	2	110.8110	22.032	2	110.8110	22.032	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H)	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(CH3)2{1|H<1>,1|N<3>,2|C<4>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]N)(H){1|Zr<12>,2|C<4>}	111.5337	0.802	4	111.5337	0.644	4	111.2732	1.112	6	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]H)(CH3)2{1|C<4>,1|H<1>,2|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(H){1|C<4>,1|O<2>,2|H<1>}	110.7520	1.677	2	110.7520	2.813	2	111.2732	1.112	6	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]Cl)(O)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]O)(CH3)2{1|Cl<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]Cl)(O){1|H<1>,2|C<4>}	108.8310	1.117	2	108.8310	1.248	2	108.8310	1.248	2	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(H)	C[5](C[5,6]C[5]C[6]O[6])(C[5]C[5]H)(CH3)2{1|O<1>,2|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(H){1|C<4>,1|O<1>,1|O<2>}	108.0035	2.514	2	108.0035	6.319	2	108.0035	6.319	2	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(O)	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)2{1|C<3>,2|C<4>,4|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5]H)(O){1|C<3>,1|C<4>,1|H<1>}	109.0530	7.918	2	109.0530	62.698	2	109.0530	62.698	2	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)2{3|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(N[5]C[5,6]C)(O){2|C<4>,2|H<1>}	108.8768	2.847	4	108.8768	8.103	4	108.8768	8.103	4	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CC[6a]HO)(CH3){3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(H){4|H<1>}	109.7130	0.000	1	109.7130	0.000	1	110.8180	3.455	3	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){1|C<4>,3|H<1>}	111.3705	2.254	2	111.3705	5.078	2	110.8180	3.455	3	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	105.8020	0.000	1	105.8020	0.000	1	106.5412	12.031	12	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(O){1|H<1>,2|C<4>}	109.0860	0.000	1	109.0860	0.000	1	106.5412	12.031	12	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	109.0120	0.000	1	109.0120	0.000	1	106.5412	12.031	12	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	103.2450	0.000	1	103.2450	0.000	1	106.5412	12.031	12	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	103.5798	0.666	4	103.5798	0.443	4	106.5412	12.031	12	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<3>,1|O<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(O){1|C<3>,1|O<1>,1|O<2>}	109.9690	6.227	2	109.9690	38.773	2	106.5412	12.031	12	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|H<1>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<3>}	108.5460	1.274	2	108.5460	1.624	2	106.5412	12.031	12	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{3|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(H){2|C<4>,2|H<1>}	109.5970	1.735	4	109.5970	3.011	4	109.6798	1.907	6	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(H)	C[5](C[5]C[5]HH)(C[5]N[5]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(H){1|C<4>,3|H<1>}	109.8455	0.647	2	109.8455	0.419	2	109.6798	1.907	6	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]S)(O)	C[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]S)(O){1|C<4>,3|H<1>}	106.5675	6.744	2	106.5675	45.477	2	108.3441	7.417	13	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[5a]HO)(CH3){1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){4|H<1>}	107.5910	0.000	1	107.5910	0.000	1	108.3441	7.417	13	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){1|C<3>,3|H<1>}	108.9915	1.880	2	108.9915	3.535	2	108.3441	7.417	13	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]N)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|N<3>,1|O<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]N)(O){1|O<1>,2|H<1>}	108.5780	2.129	4	108.5780	4.534	4	108.3441	7.417	13	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(O){1|C<4>,3|H<1>}	108.8630	2.407	4	108.8630	5.793	4	108.3441	7.417	13	108.6484	9.300	50	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:2:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-2:	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]N[5,6])	C[5](C[5,6]N[5,6]C[6]H)(C[5]C[6a]N[5])(CH3)2{1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[6a]C[6a]2)(N[5]N[5,6]){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	112.4460	2.524	2	112.4460	6.372	2	112.4460	6.372	2	110.0563	11.203	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C-3:N[5]-2:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(CC[5a]Br)(N[5]C[5])	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(CC[5a]Br)(N[5]C[5]){1|C<3>,2|H<1>}	112.9340	0.658	2	112.9340	0.432	2	112.9340	0.432	2	110.0563	11.203	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(NC[6])	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2{1|Co<5>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(NC[6]){1|C<3>,2|C<4>}	108.7855	4.223	4	108.7855	17.834	4	109.3978	11.409	16	110.0563	11.203	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(NC[6])	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2{1|Fe<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(NC[6]){1|C<3>,2|C<4>}	109.8140	2.862	4	109.8140	8.189	4	109.3978	11.409	16	110.0563	11.203	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:N-2:	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Ni)(NC[6])	C[5](C[5]C[5]CC)(C[5]N[5]N)(CH3)2{1|Ni<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Ni)(NC[6]){1|C<3>,2|C<4>}	109.4959	3.602	8	109.4959	12.972	8	109.3978	11.409	16	110.0563	11.203	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[3x5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3)	C(C[5]C[3x5]C[5]C)(H)3	C[5](C[5]C[3x5]CC)(C[5]C[3x5]H)(CCO)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[3x5]C[5]C)(H)3	C[5](C[5]C[3x5]CC)(C[5]C[3x5]H)(CCO){1|C<3>,1|O<2>,2|C<4>}	116.3020	0.000	1	116.3020	0.000	1	116.3020	0.000	1	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCO)	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCO){1|C<3>,3|C<4>}	111.8985	3.171	2	111.8985	10.058	2	112.1647	4.657	4	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(CCC)	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]C)(CH3)2{1|C<4>,4|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]C)(CCC){1|C<4>,1|H<1>,2|C<3>}	112.4310	1.905	2	112.4310	3.629	2	112.1647	4.657	4	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3)	C(C[5]C[5,6]C[5]C)(F)3	C[5](C[5]C[5,6]CC)(C[5]O[5]C)(COO)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]C)(F)3	C[5](C[5]C[5,6]CC)(C[5]O[5]C)(COO){2|C<3>}	107.9400	0.000	1	107.9400	0.000	1	107.9400	0.000	1	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[5]O[5]C)(COO)	C[5](C[5,6]C[6]2O[5])(C[5]C[5]C)(CF3)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[5]O[5]C)(COO){2|C<3>}	116.4990	0.000	1	116.4990	0.000	1	116.4990	0.000	1	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:F-1:F-1:F-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3)	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(COO)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]2C)(F)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(COO){2|C<3>,2|H<1>}	110.2040	1.144	4	110.2040	1.309	4	110.2040	1.309	4	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCH){4|C<4>}	110.5225	2.855	4	110.5225	8.150	4	111.2782	6.032	14	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO){1|C<4>,3|H<1>}	109.5340	0.000	1	109.5340	0.000	1	111.2782	6.032	14	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){1|C<4>,3|H<1>}	111.4010	0.000	1	111.4010	0.000	1	111.2782	6.032	14	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCC)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCC){1|C<3>,3|H<1>}	111.4650	1.031	2	111.4650	1.063	2	111.2782	6.032	14	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5,6]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5,6]O){4|H<1>}	108.0740	0.000	1	108.0740	0.000	1	111.2782	6.032	14	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]O){4|H<1>}	110.2810	0.000	1	110.2810	0.000	1	111.2782	6.032	14	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){4|H<1>}	109.8410	0.000	1	109.8410	0.000	1	111.2782	6.032	14	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.3550	0.000	1	115.3550	0.000	1	111.2782	6.032	14	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	113.6750	0.000	1	113.6750	0.000	1	111.2782	6.032	14	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|O<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]H){2|H<1>}	114.7140	0.000	1	114.7140	0.000	1	111.2782	6.032	14	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2{1|Co<5>,1|N<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]H){1|N<2>,2|C<4>}	109.7735	3.639	4	109.7735	13.243	4	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5]H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2{1|Fe<4>,1|N<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Fe)(CC[5]H){1|N<2>,2|C<4>}	110.6830	3.962	4	110.6830	15.697	4	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Ni)(CC[5]H)	C[5](C[5]C[5]CC)(C[5]N[5]C)(CH3)2{1|Ni<4>,1|N<2>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Ni)(CC[5]H){1|N<2>,2|C<4>}	111.1502	3.163	8	111.1502	10.004	8	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C){1|C<3>,1|C<4>,1|H<1>}	114.7220	0.000	1	112.1077	26.365	13	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C){2|C<4>,2|H<1>}	108.3890	0.000	1	112.1077	26.365	13	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C){1|C<3>,1|C<4>,1|H<1>}	117.8638	0.316	5	112.1077	26.365	13	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C){2|C<4>,2|H<1>}	107.4950	0.632	6	112.1077	26.365	13	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(COO)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CF3)(CH3){1|C<3>,1|H<1>,1|O<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(COO){2|C<3>,2|H<1>}	111.2835	0.662	4	111.2835	0.438	4	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2{1|Co<5>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	110.2440	3.369	2	110.6508	12.283	14	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]H)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CH3)2{1|Co<6>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]H){1|C<3>,1|C<4>,1|H<1>}	110.7186	3.667	12	110.6508	12.283	14	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5a]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Co<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5a]H){1|C<3>,2|H<1>}	111.1035	4.475	2	111.1035	20.028	2	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Cu)(CC[5a]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Cu<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Cu)(CC[5a]H){1|C<3>,2|H<1>}	110.8945	3.962	2	110.8945	15.697	2	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Zn)(CC[5a]H)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Zn<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Zn)(CC[5a]H){1|C<3>,2|H<1>}	110.7862	3.955	6	110.7862	15.640	6	111.0769	13.799	57	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:P-3:	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(PC[6a]2)	C[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)2{1|O<1>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(PC[6a]2){2|C<4>,2|H<1>}	112.4265	0.373	2	112.4265	0.139	2	112.4265	0.139	2	111.2423	11.390	84	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH){1|C<4>,3|H<1>}	108.4660	0.000	1	108.4660	0.000	1	110.4116	4.218	7	110.5425	5.216	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	109.6953	2.492	3	109.6953	6.209	3	110.4116	4.218	7	110.5425	5.216	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	112.5890	0.000	1	112.5890	0.000	1	110.4116	4.218	7	110.5425	5.216	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|O<2>,3|H<1>}	111.3700	0.994	2	111.3700	0.988	2	110.4116	4.218	7	110.5425	5.216	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Pd)(CH3)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)2{1|Pd<4>,1|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]Pd)(CH3){1|C<3>,2|H<1>}	109.9695	4.891	2	109.9695	23.922	2	109.9695	23.922	2	110.5425	5.216	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-3:S-4:	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(SC[6a]OO)	C[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)2{1|O<1>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(N[5]C[5]O)(SC[6a]OO){2|C<4>,2|H<1>}	111.5740	0.148	2	111.5740	0.022	2	111.5740	0.022	2	110.5425	5.216	11	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[5]C[4,5,5]CC)2(O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[5]C[4,5,5]CC)2(O){2|C<3>,2|C<4>}	107.9895	0.634	2	108.8655	3.323	4	108.8655	3.323	4	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[4,5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[5]C[4,5,5]CC)2(O)	C[5](C[4,5,5]C[4,5,5]C[4,5]C[5])(C[5]C[5]O)(CH3)2{1|S<4>,2|C<3>,2|H<1>,3|C<4>}	C(C[5]C[4,5,5]C[5]C)(H)3	C[5](C[5]C[4,5,5]CC)2(O){2|C<3>,2|C<4>}	109.7415	2.549	2	108.8655	3.323	4	108.8655	3.323	4	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O){2|C<4>,2|H<1>}	105.3400	0.000	1	105.1035	0.112	2	107.9109	8.202	10	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O){2|C<4>,2|H<1>}	104.8670	0.000	1	105.1035	0.112	2	107.9109	8.202	10	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(O)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[5]C[5]O)(CH3)2{1|N<3>,2|H<1>,3|C<3>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	109.8675	4.857	2	109.8675	23.592	2	107.9109	8.202	10	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CH3)2	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(O)	C[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CH3)2{1|O<2>,2|C<4>,5|H<1>}	C(C[5]C[5,5]C[5]C)(H)3	C[5](C[5]C[5,5]CC)(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|H<1>}	108.1945	2.290	6	108.1945	5.242	6	107.9109	8.202	10	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,6]C[5]C)(H)3	C[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(O){2|C<4>,2|H<1>}	105.2270	0.823	4	105.2270	0.677	4	105.2270	0.677	4	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:O-1:	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(O)	C[5](C[5]C[3,5]HO)(C[5]C[3,5]O)(CH3)2{1|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CC)(O){1|O<2>,4|H<1>}	109.0745	0.646	2	109.0745	0.417	2	109.0745	0.417	2	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	106.1020	0.000	1	106.1020	0.000	1	107.9630	12.429	3	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]CH)(C[5]C[5,5]O)(CH3)2{1|H<1>,3|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CC)(O){3|C<4>,4|H<1>}	108.8935	4.434	2	108.8935	19.663	2	107.9630	12.429	3	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(O)	C[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]HH)(C[5]C[5]CC)(O){2|C<4>,2|H<1>}	108.4955	1.691	2	108.4955	2.858	2	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	107.8360	0.000	1	107.1320	0.991	2	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	106.4280	0.000	1	107.1320	0.991	2	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	104.7810	0.000	1	104.7810	0.000	1	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){4|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	103.1930	0.000	1	103.1930	0.000	1	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	105.5260	0.184	2	105.5260	0.034	2	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){2|C<4>,2|H<1>}	108.7475	4.526	2	108.7475	20.486	2	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|H<1>}	103.5130	0.000	1	103.5130	0.000	1	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|O<2>}	109.5555	1.671	2	108.5775	9.341	4	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|H<1>,1|O<2>,2|C<4>}	107.5995	4.627	2	108.5775	9.341	4	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HO)(CH3){4|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){4|H<1>}	106.6490	0.000	1	106.6490	0.000	1	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	C[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)2{1|H<1>,1|O<2>,2|C<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){1|C<4>,3|H<1>}	108.6360	1.355	4	108.6360	1.836	4	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<2>,3|H<1>}	106.3910	0.000	1	106.3910	0.000	1	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)(CH3){4|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<2>,3|H<1>}	105.4910	0.000	1	105.4910	0.000	1	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>,2|H<1>}	108.7055	3.767	2	108.7055	14.188	2	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)2(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)2(O){2|C<3>,2|H<1>}	111.1140	2.329	2	111.1140	5.425	2	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]CO)(O){2|C<3>,2|H<1>}	108.6500	3.496	2	108.6500	12.222	2	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]O[5]CO)(C[5]C[5]O)(CH3)2	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O)	C[5](C[5]O[5]CO)(C[5]C[5]O)(CH3)2{1|C<4>,1|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]O[5]CH)(O){1|C<4>,1|O<2>}	109.7105	5.488	2	109.7105	30.117	2	107.8345	7.888	30	107.7840	7.199	53	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O){2|C<3>,2|H<1>}	112.3120	0.000	1	112.3120	0.000	1	112.8883	5.396	12	112.6637	5.602	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CC)(CHH){2|C<3>,2|H<1>,2|O<2>}	113.3610	0.000	1	113.3610	0.000	1	112.8883	5.396	12	112.6637	5.602	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CB[5]C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,1|S<4>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CB[5]C){1|S<4>,2|H<1>}	111.0560	0.000	1	111.0560	0.000	1	112.8883	5.396	12	112.6637	5.602	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]2)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]2){1|S<4>,2|H<1>}	115.5460	0.000	1	115.5460	0.000	1	112.8883	5.396	12	112.6637	5.602	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	112.6468	2.866	6	112.6468	8.215	6	112.8883	5.396	12	112.6637	5.602	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]O){1|S<4>,2|H<1>}	111.4230	0.000	1	111.4230	0.000	1	112.8883	5.396	12	112.6637	5.602	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	115.0800	0.000	1	115.0800	0.000	1	112.8883	5.396	12	112.6637	5.602	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:1:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3)	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>}	C(C[5]C[5]2C)(H)3	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	109.9690	0.000	1	109.9690	0.000	1	109.9690	0.000	1	112.6637	5.602	13	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:2:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(O)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2{2|C<3>}	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	107.6940	1.138	2	107.6940	1.296	2	108.6439	0.895	13	108.7544	0.997	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:2:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5a]-3:C[5]-4:O-1:	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(O)	C[5](C[5]N[5,5a]HH)(C[5]C[5,5a]O)(CHHO)2{2|C<3>}	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5,5a]N[5,5a]C[5a])(C[5]C[5]CC)(O){2|C<3>,3|H<1>}	108.8166	0.855	11	108.8166	0.731	11	108.6439	0.895	13	108.7544	0.997	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:2:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO){1|H<1>,2|O<2>}	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5]C[5,5]H)(C[5]C[5]CC)(H){2|H<1>,2|O<2>}	110.1910	0.000	1	110.1910	0.000	1	110.1910	0.000	1	108.7544	0.997	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:2:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	107.9470	0.000	1	107.9470	0.000	1	107.9470	0.000	1	107.9470	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:2:1:1:	4:3:3:	C[3x5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3)	C(C[5]C[3x5]C[5]C)(OC)(H)2	C[5](C[5]C[3x5]CC)(C[5]C[3x5]H)(CCO)	C[5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5]C)(CHHO)(CH3){2|C<3>,2|C<4>,3|H<1>}	C(C[5]C[3x5]C[5]C)(OC)(H)2	C[5](C[5]C[3x5]CC)(C[5]C[3x5]H)(CCO){1|C<3>,1|O<2>,2|C<4>}	107.7650	0.000	1	107.7650	0.000	1	107.7650	0.000	1	107.8580	0.017	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:2:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHO)(CH3){1|C<4>,1|O<1>}	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]O)(CC[6a]H){1|C<4>,2|H<1>}	107.9510	0.000	1	107.9510	0.000	1	107.9510	0.000	1	107.8580	0.017	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:2:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5,5]-4:C[5]-4:O-1:	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3)	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O)	C[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C(C[5]C[5]2C)(OC)(H)2	C[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CC)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	108.6010	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:2:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3)	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CC)(CHH)	C[5](C[5]C[5]HO)(C[5]C[5]C)(CHHO)(CH3){1|N<3>,1|O<2>,2|H<1>}	C(C[5]C[5]2C)(OH)(H)2	C[5](C[5]N[5a]C[5]H)(C[5]C[5]CC)(CHH){2|C<3>,2|H<1>,2|O<2>}	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	109.6870	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	3:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3)	C(C[5]C[5,5]C[5]C)(NCS)(H)2	C[5](C[5]C[5,5]C[3])(C[5]C[5,5]CC)(H)	C[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]H)(CHHN)(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[5]C[5,5]C[5]C)(NCS)(H)2	C[5](C[5]C[5,5]C[3])(C[5]C[5,5]CC)(H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	117.2935	0.630	2	117.2935	0.397	2	117.2935	0.397	2	115.2593	12.612	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3)	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(CN[5]HH)(CH3){1|O<1>,3|C<3>}	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(H){1|O<1>,1|O<2>,3|C<3>}	111.1910	0.000	1	111.1910	0.000	1	111.1910	0.000	1	115.2593	12.612	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	109.8580	0.000	1	109.8580	0.000	1	108.6560	2.890	2	109.1160	2.080	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,1|O<2>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(O){1|H<1>,2|C<4>}	107.4540	0.000	1	107.4540	0.000	1	108.6560	2.890	2	109.1160	2.080	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:Se-1:	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se)	C[5](C[5]C[6a]C[5]H)(C[5]N[5]Se)(CC[6a]CH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(Se){1|C<3>,3|H<1>}	110.0360	0.000	1	110.0360	0.000	1	110.0360	0.000	1	109.1160	2.080	3	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CNO)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<3>}	C(C[5]C[5]2C)(CNO)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C){1|C<3>,1|C<4>,1|H<1>}	109.1960	2.103	5	109.1960	4.422	5	108.8393	4.301	6	108.8393	4.301	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<3>}	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C){1|C<3>,1|C<4>,1|H<1>}	107.0560	0.000	1	107.0560	0.000	1	108.8393	4.301	6	108.8393	4.301	6	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	C(C[5]C[5]2C)(CC[5]O)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5]HH){1|C<4>,3|H<1>}	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	111.1985	0.311	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	111.5930	0.000	1	111.5930	0.000	1	111.5930	0.000	1	111.1985	0.311	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,3|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<3>,1|C<4>,2|H<1>}	106.4270	0.000	1	108.1520	5.951	2	108.7143	5.277	7	108.7143	5.277	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	109.8770	0.000	1	108.1520	5.951	2	108.7143	5.277	7	108.7143	5.277	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]HO)(C[5]C[5]O)(CCHH)(CH3){4|H<1>}	C(C[5]C[5]2C)(CC[6]H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|O<2>,3|H<1>}	111.0610	0.000	1	111.0610	0.000	1	108.7143	5.277	7	108.7143	5.277	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]CC)2(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]CC)2(O){2|C<3>,2|H<1>}	107.8670	0.000	1	107.8670	0.000	1	108.7143	5.277	7	108.7143	5.277	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>,2|H<1>}	108.0190	0.000	1	108.0190	0.000	1	108.7143	5.277	7	108.7143	5.277	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)2(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)2(O){2|C<3>,2|H<1>}	105.8480	0.000	1	105.8480	0.000	1	108.7143	5.277	7	108.7143	5.277	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O)	C[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)(CH3){1|C<4>,2|H<1>,3|C<3>}	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]CH)(O){2|C<3>,2|H<1>}	111.9010	0.000	1	111.9010	0.000	1	108.7143	5.277	7	108.7143	5.277	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){2|C<3>,2|H<1>}	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O){2|C<3>,2|H<1>}	111.3930	0.000	1	111.3930	0.000	1	110.8715	5.251	8	110.8715	5.251	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]O)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCC)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]O){1|S<4>,2|H<1>}	111.3510	0.000	1	111.3510	0.000	1	110.8715	5.251	8	110.8715	5.251	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CB[5]C)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>,1|S<4>}	C(C[5]C[5]2C)(COO)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]CH)(CB[5]C){1|S<4>,2|H<1>}	110.3360	0.000	1	110.3360	0.000	1	110.8715	5.251	8	110.8715	5.251	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Br)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Br){1|S<4>,2|H<1>}	107.8130	0.000	1	107.8130	0.000	1	110.8715	5.251	8	110.8715	5.251	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Cl)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Cl){1|S<4>,2|H<1>}	110.5840	2.686	3	110.5840	7.214	3	110.8715	5.251	8	110.8715	5.251	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-3:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	114.3270	0.000	1	114.3270	0.000	1	110.8715	5.251	8	110.8715	5.251	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:2:1:	4:2:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-2:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5])(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){1|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5])(O){1|C<4>,2|H<1>}	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	110.3740	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:3:2:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-3:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HO)(CH3){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHH){4|H<1>}	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){2|C<3>,2|C<4>,2|H<1>}	111.4710	0.000	1	111.4860	0.000	2	111.4860	0.000	2	109.9463	13.207	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CCHH)(CH3){1|Cl<1>,1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5,6]C[5]C)(CCHH)(H)2	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CC)(O){2|C<3>,2|C<4>,2|H<1>}	111.5010	0.000	1	111.4860	0.000	2	111.4860	0.000	2	109.9463	13.207	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:H-1:	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[5,5]HH)(C[5]C[5]H)(CCHH)(CHHO){1|H<1>,2|O<2>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5,5]H)(C[5]C[5]CC)(H){2|H<1>,2|O<2>}	112.5460	0.000	1	112.5460	0.000	1	112.5460	0.000	1	109.9463	13.207	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-3:C[5]-4:O-1:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)2{1|C<4>,1|N<3>,2|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]N[5])(C[5]C[5]CC)(O){2|C<3>,3|C<4>}	107.8425	6.800	2	107.8425	46.243	2	107.8425	46.243	2	109.9463	13.207	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:Se-1:	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(Se)	C[5](C[5]C[5]HH)(C[5]N[5]Se)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(Se){2|C<3>,2|C<4>,2|H<1>}	109.2105	3.400	2	109.2105	11.563	2	109.2105	11.563	2	109.9463	13.207	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-2:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC){2|C<3>,2|C<4>,2|H<1>}	109.4256	2.516	14	109.4256	6.331	14	109.4966	6.218	16	109.4966	6.218	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:2:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-2:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CP)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CP){2|C<3>,2|C<4>,2|H<1>}	109.9940	3.226	2	109.9940	10.406	2	109.4966	6.218	16	109.4966	6.218	16	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[3]H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[3]H){2|C<3>,2|C<4>,2|H<1>}	112.0730	1.447	2	112.0730	2.093	2	111.5353	3.140	4	111.2891	1.631	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:B-3:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]H){2|C<3>,2|C<4>,2|H<1>}	110.9975	2.484	2	110.9975	6.171	2	111.5353	3.140	4	111.2891	1.631	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CCO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CCO){2|C<3>,2|C<4>,2|H<1>}	111.1960	1.464	4	111.1960	2.143	4	111.1660	1.166	8	111.2891	1.631	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(COO){2|C<3>,2|C<4>,2|H<1>}	111.1360	0.758	4	111.1360	0.575	4	111.1660	1.166	8	111.2891	1.631	12	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:B-4:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BC[5]HO){2|C<3>,2|C<4>,2|H<1>}	110.3930	5.044	2	110.3930	25.447	2	109.9640	12.739	4	109.9640	12.739	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	3:4:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	N[5]-3:C[5]-4:B-4:	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO)	C[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)2{1|C<3>,2|C<4>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BHHO){2|C<3>,2|C<4>,2|H<1>}	109.5350	3.469	2	109.5350	12.034	2	109.9640	12.739	4	109.9640	12.739	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:2:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CCHH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[5]C[5,6]C[5]C)(CH3)(H)2	C[5](C[5]C[5,6]CC)(O[5]C[5,6])(O){1|C<3>,1|C<4>,2|H<1>}	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	109.4920	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:2:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-2:C-3:	C[5](C[5]C[5]HO)(C[5]N[5]C)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H)	C[5](C[5]C[5]HO)(C[5]N[5]C)(CCHH)2{1|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(N[5]C[5])(CC[5a]H){1|C<3>,1|H<1>,1|O<2>}	109.7805	0.200	2	109.7805	0.040	2	109.7805	0.040	2	109.7805	0.040	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3)	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[3]HH)(CH3){1|C<4>,1|H<1>}	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	103.5650	0.000	1	103.5650	0.000	1	103.5650	0.000	1	109.6854	9.791	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:F-1:F-1:	C[5]-4:N[5]-3:O-1:	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF)	C(C[5]C[5]2C)(CF3)(F)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)(CCFF){1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CF3)(F)2	C[5](C[5]C[5]CC)(N[5]C[5]C)(O){4|H<1>}	108.4875	0.186	2	108.4875	0.035	2	108.4875	0.035	2	109.6854	9.791	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2{1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){4|H<1>}	112.0050	0.000	1	112.0050	0.000	1	111.7595	0.121	2	109.6854	9.791	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(H)	C[5](C[5]C[5]HH)(C[5]C[5]H)(CCHH)2{1|C<4>,2|H<1>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]C)(H){4|H<1>}	111.5140	0.000	1	111.5140	0.000	1	111.7595	0.121	2	109.6854	9.791	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)(CHHO){1|C<4>,1|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|H<1>,2|C<4>}	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	109.6854	9.791	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	111.6250	0.000	1	111.6250	0.000	1	111.6250	0.000	1	109.6854	9.791	7	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5,6]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){3|H<1>}	C(CC[5,5,6]HH)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]H)(CC[5,6]O){4|H<1>}	114.7840	0.000	1	114.7840	0.000	1	114.7840	0.000	1	113.9110	9.037	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCO){1|C<4>,3|H<1>}	112.3900	0.000	1	112.3900	0.000	1	112.0023	13.527	3	113.9110	9.037	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]O)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6]O){4|H<1>}	115.4710	0.000	1	115.4710	0.000	1	112.0023	13.527	3	113.9110	9.037	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]C)(CCHH)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[5]C[5]2C)(CH3)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.1460	0.000	1	108.1460	0.000	1	112.0023	13.527	3	113.9110	9.037	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<5>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C){2|C<4>,2|H<1>}	113.1280	0.000	1	115.5174	1.991	7	115.5174	1.991	7	113.9110	9.037	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:N[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C)	C[5](C[5]C[5]CH)(C[5]N[5]C)(CCHH)(CH3){1|Co<6>,1|C<4>,1|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]Co)(CC[5]C){2|C<4>,2|H<1>}	115.9157	1.028	6	115.5174	1.991	7	115.5174	1.991	7	113.9110	9.037	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]CH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]O[5]H)(C[5]C[5]2C)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){1|C<4>,3|H<1>}	111.2790	0.000	1	111.2790	0.000	1	113.7385	12.098	2	113.9110	9.037	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[5]HH)(CH3){1|O<1>,2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]O)(CCH){4|H<1>}	116.1980	0.000	1	116.1980	0.000	1	113.7385	12.098	2	113.9110	9.037	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:3:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3)	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]H)	C[5](C[5]O[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|O<1>}	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]H){2|H<1>}	107.8640	0.000	1	107.8640	0.000	1	107.8640	0.000	1	113.9110	9.037	14	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O){2|C<4>,2|H<1>}	115.2210	0.000	1	114.2275	1.974	2	114.2275	1.974	2	112.8975	2.389	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O)	C[5](C[5,5]C[5,5]2H)(C[5]C[5]O)(CCHH)(CH3){2|H<1>,2|O<2>,3|C<4>}	C(C[5]C[5,5]C[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(O){2|C<4>,2|H<1>}	113.2340	0.000	1	114.2275	1.974	2	114.2275	1.974	2	112.8975	2.389	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5,6]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3)	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(O)	C[5](C[5,6]C[5,6]2H)(C[5]C[5]O)(CCHH)(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C(C[5]C[5,6]C[5]C)(CC[5]HH)(H)2	C[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(O){2|C<4>,2|H<1>}	112.8312	0.891	4	112.8312	0.794	4	112.8312	0.794	4	112.8975	2.389	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	109.9760	0.000	1	109.9760	0.000	1	111.7000	5.944	2	112.8975	2.389	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CO)(C[5]C[5]O)(CC[5]HH)(CH3){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|H<1>}	113.4240	0.000	1	113.4240	0.000	1	111.7000	5.944	2	112.8975	2.389	8	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]Cl)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)2{4|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]Cl){4|H<1>}	110.5053	2.536	6	110.5053	6.432	6	111.1996	5.208	18	111.1764	7.051	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCFF)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]2)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCFF)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]2){1|S<4>,2|H<1>}	111.9450	0.000	1	111.9450	0.000	1	111.1996	5.208	18	111.1764	7.051	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3)	C(C[5]C[5]2C)(CCFF)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCFF)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	112.3263	0.598	6	112.3263	0.358	6	111.1996	5.208	18	111.1764	7.051	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CC3)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Cl)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CC3)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Cl){1|S<4>,2|H<1>}	111.9960	0.075	2	111.9960	0.006	2	111.1996	5.208	18	111.1764	7.051	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Br)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Br){1|S<4>,2|H<1>}	114.2910	0.000	1	114.2910	0.000	1	111.1996	5.208	18	111.1764	7.051	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Cl)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]Cl){1|S<4>,2|H<1>}	107.6770	0.000	1	107.6770	0.000	1	111.1996	5.208	18	111.1764	7.051	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CCHH)2{1|S<4>,2|H<1>}	C(C[5]C[5]2C)(CCHH)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	106.6970	0.000	1	106.6970	0.000	1	111.1996	5.208	18	111.1764	7.051	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3)	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)(CH3){1|C<3>,2|O<2>,3|H<1>}	C(C[5]C[5]2C)(CC[6]HH)(H)2	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CC)(C[5]C[5]H){1|C<4>,2|C<3>,4|H<1>}	115.7290	0.000	1	115.7290	0.000	1	115.7290	0.000	1	111.1764	7.051	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:1:1:	4:4:3:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:S-4:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3)	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I)	C[5](C[5]N[5]HH)(C[5]C[5]C)(CHHS)(CH3){1|S<4>,2|H<1>}	C(C[5]C[5]2C)(SC[6a]OO)(H)2	C[5](C[5]C[5]CC)(C[5]N[5]HH)(CC[6a]I){1|S<4>,2|H<1>}	106.2070	0.000	1	106.2070	0.000	1	106.2070	0.000	1	111.1764	7.051	20	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	111.0453	1.090	3	111.0453	1.187	3	110.8487	0.946	4	110.8487	0.946	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:2:1:	4:3:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){2|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CC)(C[5]C[5]H)(O){1|C<4>,2|H<1>}	110.2590	0.000	1	110.2590	0.000	1	110.8487	0.946	4	110.8487	0.946	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:2:1:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[6]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO)	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO){1|C<4>,1|H<1>,1|O<2>}	C(C[6]C[4,6]C[6]H)(C[5]C[5]2C)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO){1|O<2>,3|H<1>}	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	110.6920	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:2:1:	4:4:1:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C[5]-4:O-2:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3)	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O)	C[5](C[5]C[5]CH)(C[5]C[5]O)(CC[5]HO)(CH3){4|H<1>}	C(C[5]C[5]2C)(C[5]C[5]2H)(OC)(H)	C[5](C[5]C[5]CC)(C[5]C[5]HH)(O){1|C<4>,3|H<1>}	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	108.7350	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:3:4:4:	4:4:4:2:	4:3:4:	C[5]-4:C[5]-3:C-4:C-4:	C[5]-4:C-4:C-4:O-2:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO)	C(C[5]C[5]2C)(CH3)2(OH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6]HO)(CCCO){1|C<4>,1|H<1>,1|O<2>}	C(C[5]C[5]2C)(CH3)2(OH)	C[5](C[5]C[5]CC)(C[5]C[5]C)(CCHO){1|O<2>,3|H<1>}	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:1:	3:4:1:1:	4:3:1:	C[5]-4:C-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-1:	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(C)	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(C){1|C<4>,1|H<1>}	116.5000	0.000	1	116.5000	0.000	1	116.5000	0.000	1	116.5000	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:1:	3:4:1:1:	4:3:3:	C[5]-4:C-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(CC[5,6]HH)(C[5]C[5]C)(H){1|O<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(H)2	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	116.6441	1.073	10	116.6441	1.152	10	116.6441	1.152	10	116.6441	1.152	10	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:1:	3:4:2:1:	4:3:3:	C[5]-4:C-4:C[5]-3:H-1:	C[5,6]-3:C[5]-4:O-2:H-1:	C[5]-4:C[5]-3:C-3:	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H)	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH)	C[5](C[5]O[5]CH)(CC[5,6]HO)(C[5]C[5]C)(H){1|O<1>}	C(C[5,6]C[5,5,6]C[5,6])(C[5]C[5]2H)(OH)(H)	C[5](C[5]C[5]CH)(C[5]O[5]O)(CHH){1|C<4>,1|H<1>}	118.2520	0.000	1	118.2520	0.000	1	118.2520	0.000	1	118.2520	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:1:	4:4:1:1:	3:4:3:	C[5]-4:C-4:C[5]-3:H-1:	C[5,6]-4:C[5]-4:H-1:H-1:	C[5]-3:C[5]-4:C-3:	C[5](C[5]O[5]CC)(CC[5,6]HH)(C[5]C[5]C)(H)	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[6]O)	C[5](C[5]O[5]CC)(CC[5,6]HH)(C[5]C[5]C)(H){1|C<3>}	C(C[5,6]C[5,6]C[5]C[6])(C[5]C[5]2H)(H)2	C[5](C[5]C[6a]O[5])(C[5]C[5]CH)(CC[6]O){2|C<3>,2|C<4>}	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.6860	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:1:	4:4:1:1:	4:4:3:	C[3,5]-4:C-4:C[5]-3:H-1:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]H)(H)2	C[5](C[5]C[3,5]CH)2(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	117.0390	1.523	2	117.0390	2.320	2	117.0390	2.320	2	117.0390	2.320	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:2:	4:4:1:1:	4:4:3:	C[3,5]-4:C-4:C[5]-3:O-2:	C[5,5]-4:C[5]-4:H-1:H-1:	C[5]-4:C[5]-4:C[5]-3:	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH)	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5])	C[5](C[3,5]C[3,5]C[3]C)(CC[5,5]HH)(C[5]C[5]2)(OH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(C[5,5]C[5,5]C[5,6]O[5])(C[5]C[3,5]C[5]O)(H)2	C[5](C[5]C[3,5]CH)(C[5]C[3,5]CO)(C[5]C[5]O[5]){2|C<3>,2|C<4>,2|H<1>}	115.6335	0.906	2	115.6335	0.820	2	115.6335	0.820	2	115.6335	0.820	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:H-1:H-1:	C[5]-4:C[5]-3:C[5]-4:	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH)	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C)	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HO)(C[5]C[5]2)(CC[6a]HH){3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(C[5]C[5]3)(H)2	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]H)(C[5]C[5]2C){1|O<2>,3|H<1>,4|C<3>}	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	110.9710	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:4:	4:1:1:1:	3:4:2:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-3:C[5]-4:O-2:	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]2C)(OC)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){3|C<3>,3|H<1>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]2C)(OC){1|O<2>,3|C<3>,5|H<1>}	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	112.2310	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:3:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:O[5]-2:C-3:	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(O[5]C[5])(CCC)	C[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(C[5]O[5]C)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(O[5]C[5])(CCC){1|O<1>,2|C<4>,3|H<1>}	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	107.8280	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:H-1:	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]H)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(H)	C[5](C[5]C[5,6]O[5]O)(C[5]C[5]CH)(C[5]C[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	110.0410	0.000	1	110.0410	0.000	1	110.0410	0.000	1	105.4474	10.550	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(C[5]C[5]O)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]H)(O)	C[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(C[5]C[5]O)(CH3){3|C<4>,3|H<1>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]H)(O){1|O<2>,2|C<4>,3|H<1>}	103.2845	1.346	2	103.2845	1.811	2	103.2193	0.918	3	105.4474	10.550	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]O)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]Br)(O)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CO)(C[5]C[5]O)(CH3){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]Br)(O){2|C<4>,2|H<1>,2|O<2>}	103.0890	0.000	1	103.0890	0.000	1	103.2193	0.918	3	105.4474	10.550	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[5]-4:N[6]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:O-1:	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3)	C(C[5]C[5]2N[6])(H)3	C[5](C[5]C[5]N[6]C)(C[5]C[5]O)(O)	C[5](C[5]C[6a]C[5]H)(N[6]C[6]2H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(C[5]C[5]2N[6])(H)3	C[5](C[5]C[5]N[6]C)(C[5]C[5]O)(O){1|C<3>,2|H<1>,3|C<4>}	107.5380	0.000	1	107.5380	0.000	1	107.5380	0.000	1	105.4474	10.550	5	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH)	C[5](C[5]C[5,6]O[5]H)(C[5]C[5]HH)(C[5]C[5]C)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]H)(CCHH){1|C<3>,2|O<2>,4|H<1>}	110.1170	0.000	2	110.1170	0.000	2	110.1170	0.000	2	110.1170	0.000	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]HH)(O)	C[5](C[5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)(CH3){1|Br<1>,1|C<3>,3|C<4>,5|H<1>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	111.2470	0.000	1	111.2470	0.000	1	109.4975	6.122	2	109.4975	6.122	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:1:	C[5]-4:C[5]-4:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-4:O-1:	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3)	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]HO)(O)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C(C[5]C[5]3)(H)3	C[5](C[5]C[5]2C)(C[5]C[5]HO)(O){1|C<3>,1|C<4>,5|H<1>}	107.7480	0.000	1	107.7480	0.000	1	109.4975	6.122	2	109.4975	6.122	2	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	5:2:3:4:	3:4:1:1:	4:2:1:	P[3]-5:O[5]-2:C[5]-3:C-4:	C[5a]-3:C[5]-4:H-1:H-1:	C[5]-4:O[5]-2:O-1:	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH)	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	C[5](C[5]O[5]P[3]C)(O[5]B[5,5])(O)	C[5](P[3]H[3]O[3]OO)(O[5]B[5,5])(C[5]O[5]O)(CC[5a]HH){2|O<2>}	C(C[5a]N[5a,6]C[5a])(C[5]C[5]O[5]P[3])(H)2	C[5](C[5]O[5]P[3]C)(O[5]B[5,5])(O){1|H<2>,2|O<1>,3|O<2>}	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	109.5970	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	5:3:3:4:	4:1:1:1:	4:3:4:	Si[3,3]-5:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3)	C(C[5]Si[3,3]C[5]2)(H)3	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3)	C[5](Si[3,3]Si[3,3]O[3]2N)(C[5]C[5]C)2(CH3){1|N<3>,3|C<4>}	C(C[5]Si[3,3]C[5]2)(H)3	C[5](C[5]Si[3,3]C[5]C)(C[5]C[5]C)(CH3){1|Si<5>,1|N<3>,2|C<4>,2|O<2>}	110.6983	2.295	4	110.6983	5.266	4	110.6983	5.266	4	110.6983	5.266	4	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	6:3:3:4:	4:1:1:1:	4:2:4:	C[5x3,5x5,20x6]-6:C[5,6a]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:N[5]-2:C-4:	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3)	C(C[5]C[5x3,5x5,20x6]C[5,6a]C[5])(H)3	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3)	C[5](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]C)(CH3){2|C<3>,5|B<6>,6|H<1>}	C(C[5]C[5x3,5x5,20x6]C[5,6a]C[5])(H)3	C[5](C[5]C[5x3,5x5,20x6]C[5,6a]C)(N[5]C[5,6a])(CH3){1|C<6>,2|C<3>,4|B<6>}	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	110.0180	0.000	1	111.5485	9.228	4920	111.6361	11.265	6709
474	490	818	0:SP3_SP2_SP3	C[5]	C	C[5]	6:3:3:4:	4:1:1:1:	4:3:4:	B[5x3]-6:C[5]-3:C[5]-3:C-4:	C[5]-4:H-1:H-1:H-1:	C[5]-4:C[5]-3:C-4:	C[5](B[5x3]C[3,3,5]5)(C[5]C[5]C)2(CH3)	C(C[5]B[5x3]C[5]2)(H)3	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3)	C[5](B[5x3]C[3,3,5]5)(C[5]C[5]C)2(CH3){7|C<4>}	C(C[5]B[5x3]C[5]2)(H)3	C[5](C[5]B[5x3]C[5]C)(C[5]C[5]C)(CH3){7|C<4>}	114.7138	0.475	8	114.7138	0.226	8	114.7138	0.226	8	114.7138	0.226	8	111.5485	9.228	4920	111.6361	11.265	6709