486	486	963	3:SP3_SP2_SP3	C[3,6,6]	C[3,6,6]	Se[3]	4:4:4:3:	4:4:4:3:	4:4:4:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:Se[3]-3:	C[3,6,6]-4:C[3x6]-4:C[3x6]-4:Se[3]-3:	C[3,6,6]-4:C[3,6,6]-4:C-4:	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C)	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C)	Se[3](C[3,6,6]C[3,6,6]C[3x6]2)2(CC[6a]HH)	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C){10|H<1>,6|C<4>}	C[3,6,6](C[3,6,6]C[3x6]2Se[3])(C[3x6]C[6,6]2H)2(Se[3]C[3,6,6]C){10|H<1>,6|C<4>}	Se[3](C[3,6,6]C[3,6,6]C[3x6]2)2(CC[6a]HH){4|H<1>,8|C<4>}	69.1252	0.697	2	69.1252	0.486	2	69.1252	0.486	2	69.1252	0.486	2	69.1252	0.486	2	69.1252	0.486	2
486	486	968	0:SP3_SP-NON_SP3	C[3,6]	C[3]	H[3]	4:2:3:2:	4:2:1:1:	4:4:	C[3]-4:N[6]-2:C[6]-3:H[3]-2:	C[3,6]-4:H[3]-2:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3])	C[3](C[3,6]C[6]H[3]N[6])(H[3]C[3,6])(H)2	H[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3]){1|C<4>,2|N<3>}	C[3](C[3,6]C[6]H[3]N[6])(H[3]C[3,6])(H)2{1|H<1>,2|C<3>}	H[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)	40.4745	0.000	1	40.4745	0.000	1	40.4745	0.000	1	40.4745	0.000	1	40.4745	0.000	1	47.6097	101.824	2
486	486	968	0:SP3_SP-NON_SP3	C[3]	C[3,6]	H[3]	4:2:1:1:	4:2:3:2:	4:4:	C[3,6]-4:H[3]-2:H-1:H-1:	C[3]-4:N[6]-2:C[6]-3:H[3]-2:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]H[3]N[6])(H[3]C[3,6])(H)2	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3])	H[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[6]H[3]N[6])(H[3]C[3,6])(H)2{1|H<1>,2|C<3>}	C[3,6](C[3]H[3]HH)(N[6]C[5,6])(C[6]C[6]H)(H[3]C[3]){1|C<4>,2|N<3>}	H[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)	54.7450	0.000	1	54.7450	0.000	1	54.7450	0.000	1	54.7450	0.000	1	54.7450	0.000	1	47.6097	101.824	2
486	486	976	0:SP3_SP2_SP3	C[3,5,6]	C[3,6]	O[5]	4:3:2:2:	4:4:2:1:	4:3:	C[3,6]-4:C[5,6]-3:O[3]-2:O[5]-2:	C[3,5,6]-4:C[6,6]-4:O[3]-2:H-1:	C[3,5,6]-4:C[5]-3:	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5])	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H)	O[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]O)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,5,6]C[5,6]O[3]O[5])(C[6,6]C[3,6,6]C[6,6]H)(O[3]C[3,5,6])(H){1|O<2>,2|C<3>,5|C<4>}	O[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]O){1|H<1>,3|C<4>}	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	123.1810	0.000	1	117.8074	5.954	12
486	486	976	0:SP3_SP2_SP3	C[3,5]	C[3,6]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[3,5,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5,6]C[3,6]C[5,6]C)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]C)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O)	C[3,5](C[3,5,6]C[3,6]C[5,6]C)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]C)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	117.9280	0.000	1	117.9280	0.000	1	117.8295	0.019	2	117.8295	0.019	2	117.8295	0.019	2	117.8074	5.954	12
486	486	976	0:SP3_SP2_SP3	C[3,5]	C[3,6]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[3,5,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,5,6]-4:C[3,5]-4:C[6]-3:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H)	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H)	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,6](C[3,5,6]C[3,5]C[5,6]H)(C[3,5]C[3,5,6]O[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O){1|C<3>,1|C<4>,3|H<1>}	117.7310	0.000	1	117.7310	0.000	1	117.8295	0.019	2	117.8295	0.019	2	117.8295	0.019	2	117.8074	5.954	12
486	486	976	0:SP3_SP2_SP3	C[3,5]	C[3]	O[5]	4:3:2:2:	4:2:4:1:	4:3:	C[3]-4:C[5]-3:O[3]-2:O[5]-2:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5])	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H)	O[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5]){1|H<1>,1|O<1>}	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H){1|H<1>,2|C<3>}	O[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O){1|C<4>,3|H<1>}	119.8700	0.000	1	119.8700	0.000	1	119.8700	0.000	1	119.8700	0.000	1	117.2054	4.167	9	117.8074	5.954	12
486	486	976	0:SP3_SP2_SP3	C[3,5]	C[3]	O[5]	4:4:2:1:	4:4:3:3:	3:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[5,6a]-3:C[3,5]-4:	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	O[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H){2|H<1>,4|C<3>}	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	116.6920	0.000	1	117.2054	4.167	9	117.8074	5.954	12
486	486	976	0:SP3_SP2_SP3	C[3,5]	C[3]	O[5]	4:4:2:1:	4:4:3:3:	4:3:	C[3]-4:C[3,5]-4:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3,5]-4:C[5]-3:	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){3|C<3>,3|H<1>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H){2|C<3>,2|H<1>}	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	117.2054	4.167	9	117.8074	5.954	12
486	486	976	0:SP3_SP2_SP3	C[3,5]	C[3]	O[5]	4:4:2:2:	4:3:2:1:	4:3:	C[5,5]-4:C[3]-4:O[5]-2:O[3]-2:	C[3,5]-4:C[6a]-3:O[3]-2:H-1:	C[3,5]-4:C[5,6a]-3:	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3])	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H)	O[5](C[3,5]C[5,5]C[3]O[3])(C[5,6a]C[5,6a]C[6a])	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3]){1|C<4>,1|O<2>,5|C<3>}	C[3](C[3,5]C[5,5]O[3]O[5])(C[6a]C[6a]2)(O[3]C[3,5])(H){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O[5](C[3,5]C[5,5]C[3]O[3])(C[5,6a]C[5,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	119.2665	1.428	2	119.2665	2.038	2	119.2665	2.038	2	119.2665	2.038	2	117.2054	4.167	9	117.8074	5.954	12
486	486	976	0:SP3_SP2_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[3,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5]C[3]2C[5])(C[3]C[3]HH)2(O[5]C[5])	C[3](C[3,5]C[3,5]C[3]O[5])(C[3]C[3,5]HH)(H)2	O[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]O)	C[3,5](C[3,5]C[3]2C[5])(C[3]C[3]HH)2(O[5]C[5]){1|C<3>,1|O<1>,5|H<1>}	C[3](C[3,5]C[3,5]C[3]O[5])(C[3]C[3,5]HH)(H)2{1|C<3>,3|C<4>}	O[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]O){1|C<3>,2|C<4>,5|H<1>}	116.3820	0.761	2	116.3820	0.579	2	116.3820	0.579	2	116.3750	0.290	3	117.2054	4.167	9	117.8074	5.954	12
486	486	976	0:SP3_SP2_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:3:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]HH)(O[5]C[5])	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CC)(H)2	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5])	C[3,5](C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]HH)(O[5]C[5]){1|C<3>}	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CC)(H)2{1|C<3>,1|N<2>,2|H<1>}	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5]){4|C<3>,4|H<1>}	116.3610	0.000	1	116.3610	0.000	1	116.3610	0.000	1	116.3750	0.290	3	117.2054	4.167	9	117.8074	5.954	12
486	486	976	0:SP3_SP2_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:3:3:	4:3:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[3,5]-4:C[3]-4:C-3:C-3:	C[3,5]-4:C[5]-3:	C[3,5](C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]HH)(O[5]C[5])	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]HH)(CCO)(COO)	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5])	C[3,5](C[3]C[3]CC)(C[3]C[3]HH)(C[5]N[5]HH)(O[5]C[5]){1|C<3>}	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]HH)(CCO)(COO){1|C<3>,1|N<2>,2|H<1>}	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]N[5]){4|C<3>,4|H<1>}	113.6350	0.000	1	113.6350	0.000	1	113.6350	0.000	1	113.6350	0.000	1	117.2054	4.167	9	117.8074	5.954	12
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:4:2:	4:4:3:1:	4:4:	C[3,5]-4:C[3,5]-4:C[5,6]-4:O[5]-2:	C[3,5]-4:C[3,5]-4:C[5]-3:H-1:	C[5,6]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H)	O[5](C[5,6]O[5,6]C[6a]C[6])(C[3,5]C[3,5]2C[5,6])	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]C)(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O[5](C[5,6]O[5,6]C[6a]C[6])(C[3,5]C[3,5]2C[5,6]){2|C<4>,4|H<1>,5|C<3>}	115.6360	0.296	2	115.6360	0.087	2	115.6360	0.087	2	115.6360	0.087	2	117.1478	3.079	4	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:4:2:	4:4:3:4:	4:4:	C[3,5]-4:C[3,5]-4:C[5,6]-4:O[5]-2:	C[3,5]-4:C[3,5]-4:C[5]-3:C-4:	C[5,6]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6])	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]H)(CC3)	O[5](C[5,6]O[5,6]C[6a]C[6])(C[3,5]C[3,5]2C[5,6])	C[3,5](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(C[5,6]O[5,6]C[6]H)(O[5]C[5,6]){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5](C[5,6]O[5,6]C[6a]C[6])(C[3,5]C[3,5]2C[5,6]){2|C<4>,4|H<1>,5|C<3>}	118.6595	0.084	2	118.6595	0.007	2	118.6595	0.007	2	118.6595	0.007	2	117.1478	3.079	4	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5,5]-4:	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(O[5]C[5,5])(H)	C[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]O[5]H)(H)2	O[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]O[5]H)	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|H<1>}	C[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]O[5]H)(H)2{1|H<1>,2|C<4>}	O[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]O[5]H){1|C<3>,1|C<4>,4|H<1>}	116.6550	0.000	1	116.6550	0.000	1	116.6550	0.000	1	116.4652	3.028	4	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H)	C[3](C[3,5]C[3,5]C[5]S)(C[3,5]C[3,5]O[5]H)(H)2	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]S)(C[3,5]C[3,5]O[5]H)(H)2{1|H<1>,2|C<4>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO){1|C<4>,1|S<4>,3|H<1>}	117.0635	2.532	2	116.4020	4.519	3	116.4020	4.519	3	116.4652	3.028	4	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:1:	4:4:1:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H)	C[3](C[3,5]C[3,5]C[5]S)(C[3,5]C[3,5]O[5]H)(H)2	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]S)(C[3,5]C[3,5]O[5]H)(H)2{1|C<4>,1|H<1>,1|N<3>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO){1|N<3>,1|S<4>,3|H<1>}	115.0790	0.000	1	116.4020	4.519	3	116.4020	4.519	3	116.4652	3.028	4	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(COO)(H)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(COO)(H){1|C<4>,1|O<1>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	115.8270	0.000	1	116.5730	1.113	2	116.5730	1.113	2	116.5730	1.113	2	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(COO)(H)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H){2|C<3>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	117.3190	0.000	1	116.5730	1.113	2	116.5730	1.113	2	116.5730	1.113	2	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:1:	4:4:3:3:	4:4:	C[3]-4:C[3,5]-4:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3,5]-4:C[5]-4:	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]H)(C[6a]C[6a]2)(COO){1|C<4>,2|C<3>,4|H<1>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	117.6570	0.000	1	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:3:	3:4:4:3:	4:3:	C[3,5]-4:C[3]-4:O[5]-2:C-3:	C[5,6]-3:C[3,5]-4:C[3,5]-4:C-3:	C[3,5]-4:N[5,6]-3:	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[5,6]C)(O[5]N[5,6])(COO)	C[3](C[5,6]C[5,5,6]C[5,6])(C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]O[5]C)(COO)	O[5](C[3,5]C[3,5]C[3]C)(N[5,6]C[5,6]C[6])	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[5,6]C)(O[5]N[5,6])(COO){1|H<1>,2|C<3>,2|C<4>}	C[3](C[5,6]C[5,5,6]C[5,6])(C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]O[5]C)(COO){1|C<4>,1|H<1>,1|N<3>,2|O<2>,3|C<3>}	O[5](C[3,5]C[3,5]C[3]C)(N[5,6]C[5,6]C[6]){1|N<3>,2|H<1>,5|C<3>}	114.5850	0.000	1	114.5850	0.000	1	114.5850	0.000	1	114.5850	0.000	1	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:C[3,5]-4:F-1:F-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]C)(F)2	O[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]N[6]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO){1|N<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]C)(F)2{1|C<4>,2|H<1>}	O[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]N[6]H){2|C<3>,2|F<1>,3|H<1>}	116.0720	0.000	1	116.0720	0.000	1	115.5907	0.441	3	115.5907	0.441	3	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:C[3,5]-4:F-1:F-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]C)(F)2	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO){1|N<3>,1|O<2>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]C)(F)2{1|C<4>,1|H<1>,1|O<2>}	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	115.8670	0.000	1	115.3500	0.535	2	115.5907	0.441	3	115.5907	0.441	3	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:4:	4:4:1:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:C[3,5]-4:F-1:F-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]C)(F)2	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO){1|N<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]O[5]C)(F)2{1|C<4>,2|H<1>}	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H){2|C<3>,2|F<1>,3|H<1>}	114.8330	0.000	1	115.3500	0.535	2	115.5907	0.441	3	115.5907	0.441	3	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:2:4:	4:4:3:3:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-3:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3)	C[3](C[3,5]C[3,5]O[5]C)(C[3,5]C[3,5]2H)(C[6a]C[6a]2)(COO)	O[5](C[3,5]C[3,5]C[3]C)2	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C[3](C[3,5]C[3,5]O[5]C)(C[3,5]C[3,5]2H)(C[6a]C[6a]2)(COO){2|C<3>,2|C<4>,3|H<1>}	O[5](C[3,5]C[3,5]C[3]C)2{2|H<1>,4|C<3>}	115.0725	0.111	2	115.0725	0.012	2	115.0725	0.012	2	115.0725	0.012	2	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:3:2:	4:4:4:1:	4:3:	C[3,5]-4:C[3]-4:C[6a]-3:O[5]-2:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3,5]-4:N[5]-3:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5])	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[6a]O[5])(CH3)(H)	O[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[6a]O[5])(CH3)(H){1|H<1>,1|N<3>,5|C<3>}	O[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	115.0060	0.000	1	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	3:4:	C[5,6]-4:C[3]-4:C[3]-4:O[5]-2:	C[3,5]-4:C[3]-4:H-1:H-1:	N[5,5]-3:C[3,5]-4:	C[3,5](C[5,6]C[5,5,6]C[6]H)(C[3]C[3]HH)2(O[5]N[5,5])	C[3](C[3,5]C[5,6]C[3]O[5])(C[3]C[3,5]HH)(H)2	O[5](N[5,5]C[5,5,6]C[5])(C[3,5]C[5,6]C[3]2)	C[3,5](C[5,6]C[5,5,6]C[6]H)(C[3]C[3]HH)2(O[5]N[5,5]){1|O<2>,2|C<4>,3|H<1>}	C[3](C[3,5]C[5,6]C[3]O[5])(C[3]C[3,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	O[5](N[5,5]C[5,5,6]C[5])(C[3,5]C[5,6]C[3]2){3|C<4>,8|H<1>}	114.9715	1.623	8	114.9715	2.634	8	114.9715	2.634	8	115.2539	2.565	12	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	3:4:	C[5]-4:C[3]-4:C[3]-4:O[5]-2:	C[3,5]-4:C[3]-4:H-1:H-1:	N[5,5]-3:C[3,5]-4:	C[3,5](C[5]C[5,5]CH)(C[3]C[3]HH)2(O[5]N[5,5])	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]HH)(H)2	O[5](N[5,5]C[5,5]C[5])(C[3,5]C[3]2C[5])	C[3,5](C[5]C[5,5]CH)(C[3]C[3]HH)2(O[5]N[5,5]){1|H<1>,2|C<4>}	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]HH)(H)2{1|H<1>,1|N<3>,2|C<4>}	O[5](N[5,5]C[5,5]C[5])(C[3,5]C[3]2C[5]){3|C<4>,8|H<1>}	115.8187	1.619	4	115.8187	2.621	4	115.8187	2.621	4	115.2539	2.565	12	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[3,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[3,5]-4:C[3]-4:H-1:H-1:	C[5,6]-4:C[3,5]-4:	C[3,5](C[3,5]C[3]2O[5])(C[3]C[3]HH)2(O[5]C[5,6])	C[3](C[3,5]C[3,5]C[3]O[5])(C[3]C[3,5]HH)(H)2	O[5](C[5,6]C[6]N[6]O[5])(C[3,5]C[3,5]C[3]2)	C[3,5](C[3,5]C[3]2O[5])(C[3]C[3]HH)2(O[5]C[5,6]){1|C<3>,1|N<3>,4|H<1>}	C[3](C[3,5]C[3,5]C[3]O[5])(C[3]C[3,5]HH)(H)2{1|O<2>,3|C<4>}	O[5](C[5,6]C[6]N[6]O[5])(C[3,5]C[3,5]C[3]2){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	117.6555	0.750	4	117.6555	0.563	4	117.6555	0.563	4	117.3898	1.546	16	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[3,5]-4:C[3]-4:F-1:F-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5])	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]HH)(F)2	O[5](C[3,5]C[3]2C[5])(C[5]N[5a]C[5]H)	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5]){1|N<3>,1|O<2>,2|H<1>}	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]HH)(F)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[3,5]C[3]2C[5])(C[5]N[5a]C[5]H){2|C<3>,2|F<1>,2|O<2>,4|H<1>}	116.4690	0.000	1	116.4690	0.000	1	117.9103	2.069	3	117.3898	1.546	16	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[3,5]-4:C[3]-4:F-1:F-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5])	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]HH)(F)2	O[5](C[3,5]C[3]2C[5])(C[5]N[6a]C[5]H)	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5]){1|N<3>,3|H<1>}	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]HH)(F)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[3,5]C[3]2C[5])(C[5]N[6a]C[5]H){1|O<2>,2|C<3>,2|F<1>,5|H<1>}	118.6310	1.011	2	118.6310	1.022	2	117.9103	2.069	3	117.3898	1.546	16	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5])	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]FF)(H)2	O[5](C[3,5]C[3]2C[5])(C[5]N[5a]C[5]H)	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5]){1|N<3>,1|O<2>,2|H<1>}	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]FF)(H)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[3,5]C[3]2C[5])(C[5]N[5a]C[5]H){2|C<3>,2|F<1>,2|O<2>,4|H<1>}	115.5450	0.000	1	115.5450	0.000	1	116.5574	0.776	5	117.3898	1.546	16	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5])	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]FF)(H)2	O[5](C[3,5]C[3]2C[5])(C[5]N[6a]C[5]H)	C[3,5](C[3]C[3]FF)(C[3]C[3]HH)(C[5]C[5]HO)(O[5]C[5]){1|N<3>,3|H<1>}	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]FF)(H)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[3,5]C[3]2C[5])(C[5]N[6a]C[5]H){1|O<2>,2|C<3>,2|F<1>,5|H<1>}	116.5170	0.354	2	116.5170	0.125	2	116.5574	0.776	5	117.3898	1.546	16	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[3]-4:C[3]-4:C[5]-4:O[5]-2:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(O[5]C[5])	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]HH)(H)2	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H)	C[3,5](C[3]C[3]HH)2(C[5]C[5]HH)(O[5]C[5]){1|H<1>,3|C<3>}	C[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]HH)(H)2{2|C<4>,2|H<1>}	O[5](C[3,5]C[3]2C[5])(C[5]C[6a]C[5]H){4|C<3>,6|H<1>}	117.1040	1.162	2	117.1040	1.351	2	116.5574	0.776	5	117.3898	1.546	16	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[3,5]-4:C[3]-4:F-1:F-1:	C[3,5]-4:C[5]-4:	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]FF)(C[3]C[3]HH)(O[5]C[5])	C[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]HH)(F)2	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H)	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]FF)(C[3]C[3]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]HH)(F)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H){2|C<3>,2|F<1>,2|O<2>,4|H<1>}	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	117.3898	1.546	16	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]FF)(C[3]C[3]HH)(O[5]C[5])	C[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]FF)(H)2	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H)	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]FF)(C[3]C[3]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]FF)(H)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H){2|C<3>,2|F<1>,2|O<2>,4|H<1>}	115.2350	0.000	1	115.2350	0.000	1	117.5257	4.181	3	117.3898	1.546	16	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:1:1:	4:4:	C[5,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[3,5]-4:C[3]-4:H-1:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]HH)(C[3]C[3]HO)(O[5]C[5])	C[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]HO)(H)2	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H)	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]HH)(C[3]C[3]HO)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]HO)(H)2{1|H<1>,1|O<2>,2|C<4>}	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H){2|C<3>,3|O<2>,5|H<1>}	118.6710	0.701	2	118.6710	0.492	2	117.5257	4.181	3	117.3898	1.546	16	116.3758	2.601	44	116.4401	2.623	48
486	486	976	0:SP3_SP3_SP3	C[3,5]	C[3]	O[5]	4:4:4:2:	4:4:2:1:	4:4:	C[5,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[3,5]-4:C[3]-4:O-2:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]HH)(C[3]C[3]HO)(O[5]C[5])	C[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]HH)(OC)(H)	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H)	C[3,5](C[5,5]C[5,5]O[5]H)(C[3]C[3]HH)(C[3]C[3]HO)(O[5]C[5]){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]HH)(OC)(H){1|H<1>,1|O<2>,2|C<4>}	O[5](C[3,5]C[5,5]C[3]2)(C[5]C[5,5]N[6a]H){2|C<3>,3|O<2>,5|H<1>}	118.0400	0.416	2	118.0400	0.173	2	118.0400	0.173	2	118.0400	0.173	2	116.3758	2.601	44	116.4401	2.623	48
486	486	976	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	O[5]	4:4:2:1:	4:4:4:1:	4:3:	C[3,5,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H)	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(H)	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O){1|C<3>,1|C<4>,3|H<1>}	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	109.6050	0.000	1	109.9835	0.287	2	109.0241	2.664	8
486	486	976	5:SP3_SP2_SP3	C[3,5]	C[3,5,6]	O[5]	4:4:2:1:	4:4:4:4:	4:3:	C[3,5,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,5]-4:C[3,6]-4:C[5,6]-4:C-4:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5,6]C[3,6]C[5,6]C)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H)	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(CH3)	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O)	C[3,5](C[3,5,6]C[3,6]C[5,6]C)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[3,5,6](C[3,5]C[3,6]O[5]H)(C[3,6]C[3,5]C[6]H)(C[5,6]C[5]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	109.9835	0.287	2	109.0241	2.664	8
486	486	976	5:SP3_SP2_SP3	C[3,5]	C[3,5]	O[5]	4:2:2:1:	4:4:2:1:	4:3:	C[3,5]-4:O[3]-2:O[5]-2:H-1:	C[3,5]-4:C[5,5]-4:O[3]-2:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H)	C[3,5](C[3,5]O[3]O[5]H)(C[5,5]C[5]3)(O[3]C[3,5])(H)	O[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O)	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H){1|O<1>,2|C<4>}	C[3,5](C[3,5]O[3]O[5]H)(C[5,5]C[5]3)(O[3]C[3,5])(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O){1|H<1>,2|C<4>}	110.0585	0.088	2	110.0585	0.008	2	110.0585	0.008	2	110.0585	0.008	2	108.7043	3.181	6	109.0241	2.664	8
486	486	976	5:SP3_SP2_SP3	C[3,5]	C[3,5]	O[5]	4:3:3:2:	4:3:4:3:	4:3:	C[3,5]-4:C[6a]-3:N[3]-3:O[5]-2:	C[3,5]-4:N[3]-3:C[5]-4:C-3:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5])	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO)	O[5](C[3,5]C[3,5]C[6a]N[3])(C[5]C[5]O)	C[3,5](C[3,5]C[5]N[3]C)(C[6a]C[6a]2)(N[3]C[3,5]H)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[3,5](C[3,5]C[6a]N[3]O[5])(N[3]C[3,5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>}	O[5](C[3,5]C[3,5]C[6a]N[3])(C[5]C[5]O){3|C<3>,3|H<1>}	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	108.8800	0.000	1	108.7043	3.181	6	109.0241	2.664	8
486	486	976	5:SP3_SP2_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:1:	3:4:4:1:	3:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[5,6a]-3:C[3]-4:C[3,5]-4:H-1:	C[5,6a]-3:C[3,5]-4:	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H)	O[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H){4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(H){1|H<1>,4|C<3>}	O[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H){2|H<1>,4|C<3>}	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	109.6300	0.000	1	108.7043	3.181	6	109.0241	2.664	8
486	486	976	5:SP3_SP2_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:1:	4:4:3:1:	4:3:	C[3]-4:C[3,5]-4:O[5]-2:H-1:	C[3]-4:C[3,5]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-3:	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]H)(H)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]H)(H){1|H<1>,2|C<3>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H){2|C<3>,2|H<1>}	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	108.2290	0.000	1	108.7043	3.181	6	109.0241	2.664	8
486	486	976	5:SP3_SP2_SP3	C[3,5]	C[3,5]	O[5]	4:4:4:2:	4:4:4:4:	4:3:	C[3,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[3,5]-4:C[5]-4:C[3]-4:C[3]-4:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5]C[3]2C[5])(C[3]C[3]HH)2(O[5]C[5])	C[3,5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]H)(C[3]C[3]HH)2	O[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]O)	C[3,5](C[3,5]C[3]2C[5])(C[3]C[3]HH)2(O[5]C[5]){1|C<3>,1|O<1>,5|H<1>}	C[3,5](C[3,5]C[3]2O[5])(C[5]C[6a]C[5]H)(C[3]C[3]HH)2{1|O<1>,2|C<3>,4|H<1>}	O[5](C[3,5]C[3,5]C[3]2)(C[5]C[5]O){1|C<3>,2|C<4>,5|H<1>}	105.3700	0.000	1	105.3700	0.000	1	105.3700	0.000	1	105.3700	0.000	1	108.7043	3.181	6	109.0241	2.664	8
486	486	976	5:SP3_SP3_SP3	C[3,5,5]	C[3,5,5,6]	O[5,5]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5,5,6]-4:C[3,5,5,6]-4:O[5,5]-2:C-4:	C[3,5,5,6]-4:C[3,5,5]-4:C[3x5,6]-4:H-1:	C[4x5]-4:C[3,5,5]-4:	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[3,5,5,6]C[3,5,5,6]C[4x5,6]C)(O[5,5]C[4x5])(CHHN)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]O[5,5]C)(C[3x5,6]C[4x5]C[5,6]H)(H)	O[5,5](C[4x5]C[3x5,6]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]2C)	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[3,5,5,6]C[3,5,5,6]C[4x5,6]C)(O[5,5]C[4x5])(CHHN){1|C<4>,1|H<1>,3|C<3>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]O[5,5]C)(C[3x5,6]C[4x5]C[5,6]H)(H){1|C<4>,1|H<1>,2|C<3>}	O[5,5](C[4x5]C[3x5,6]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]2C){2|H<1>,4|C<3>}	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	107.9385	1.728	2	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5,5]	C[3,5,5,6]	O[5,5]	4:4:2:4:	4:4:4:3:	4:4:	C[3,5,5,6]-4:C[3,5,5,6]-4:O[5,5]-2:C-4:	C[3,5,5,6]-4:C[4x5,6]-4:C[3,5,5]-4:C-3:	C[4x5]-4:C[3,5,5]-4:	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[3,5,5,6]C[3,5,5,6]C[4x5,6]C)(O[5,5]C[4x5])(CHHN)	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[4x5,6]C[5,5,6]C[4x5]C[5])(C[3,5,5]C[3,5,5,6]O[5,5]C)(COO)	O[5,5](C[4x5]C[3x5,6]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]2C)	C[3,5,5](C[3,5,5,6]C[3,5,5,6]C[3x5,6]H)(C[3,5,5,6]C[3,5,5,6]C[4x5,6]C)(O[5,5]C[4x5])(CHHN){1|C<4>,1|H<1>,3|C<3>}	C[3,5,5,6](C[3,5,5,6]C[3,5,5]C[3x5,6]H)(C[4x5,6]C[5,5,6]C[4x5]C[5])(C[3,5,5]C[3,5,5,6]O[5,5]C)(COO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	O[5,5](C[4x5]C[3x5,6]C[4x5,6]C)(C[3,5,5]C[3,5,5,6]2C){2|H<1>,4|C<3>}	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	107.0090	0.000	1	107.9385	1.728	2	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5,5]	C[3,5,5]	O[5,5]	4:4:2:1:	4:4:4:1:	4:4:	C[3,5,5]-4:C[3,5,5]-4:O[5,5]-2:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(O[5,5]C[3x5])(H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5]C[5a]H)(H)	O[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(O[5,5]C[3x5])(H){1|C<3>,4|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5]C[5a]H)(H){2|C<3>,3|H<1>}	O[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H){1|C<3>,5|H<1>}	108.7020	0.000	1	108.7020	0.000	1	108.7305	0.002	2	108.4792	0.098	4	108.5725	0.083	6	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5,5]	C[3,5,5]	O[5,5]	4:4:2:1:	4:4:4:1:	4:4:	C[3,5,5]-4:C[3,5,5]-4:O[5,5]-2:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[3,5,5]-4:C[3x5]-4:	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(O[5,5]C[3x5])(H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5]HH)(H)	O[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(O[5,5]C[3x5])(H){1|C<3>,4|H<1>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5]HH)(H){1|C<3>,2|H<1>}	O[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H){1|C<3>,5|H<1>}	108.7590	0.000	1	108.7590	0.000	1	108.7305	0.002	2	108.4792	0.098	4	108.5725	0.083	6	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5,5]	C[3,5,5]	O[5,5]	4:4:2:1:	4:4:4:1:	4:4:	C[3,5,5]-4:C[3,5,5]-4:O[5,5]-2:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5]-4:H-1:	C[3x5,6]-4:C[3,5,5]-4:	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(O[5,5]C[3x5,6])(H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5,6]C[6a]2)(H)	O[5,5](C[3x5,6]C[5,5,6]C[5,5]O[6])(C[3,5,5]C[3,5,5]2H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(O[5,5]C[3x5,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5]C[3x5,6]C[6a]2)(H){1|C<4>,1|H<1>,1|O<2>,6|C<3>}	O[5,5](C[3x5,6]C[5,5,6]C[5,5]O[6])(C[3,5,5]C[3,5,5]2H){2|C<4>,2|H<1>,3|C<3>}	108.2280	0.202	2	108.2280	0.041	2	108.2280	0.041	2	108.4792	0.098	4	108.5725	0.083	6	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5,5]	C[3,5,5]	O[5,5]	4:4:2:1:	4:4:4:3:	4:4:	C[3,5,5]-4:C[3,5,5]-4:O[5,5]-2:H-1:	C[3,5,5]-4:C[3,5,5]-4:C[5,5,6]-4:C[6a]-3:	C[3x5,6]-4:C[3,5,5]-4:	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(O[5,5]C[3x5,6])(H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5,6]C[3x5,6]C[6]H)(C[6a]C[6a]2)	O[5,5](C[3x5,6]C[5,5,6]C[5,5]O[6])(C[3,5,5]C[3,5,5]2H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(O[5,5]C[3x5,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)(C[3,5,5]C[3,5,5]O[5,5]H)(C[5,5,6]C[3x5,6]C[6]H)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	O[5,5](C[3x5,6]C[5,5,6]C[5,5]O[6])(C[3,5,5]C[3,5,5]2H){2|C<4>,2|H<1>,3|C<3>}	108.7590	0.133	2	108.7590	0.018	2	108.7590	0.018	2	108.7590	0.018	2	108.5725	0.083	6	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:3:2:2:	4:4:2:4:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:O[5]-2:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5])	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3)	O[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3){2|C<3>,2|H<1>}	O[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH){2|C<3>,3|C<4>}	112.3250	0.000	1	112.3250	0.000	1	112.3250	0.000	1	112.3250	0.000	1	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:1:	4:4:3:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[3]-4:C[5]-3:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(H){1|C<4>,1|H<1>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	110.8390	0.000	1	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[5]-4:C[3]-4:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]O[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(H)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H){2|C<3>,2|H<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(H){1|H<1>,3|C<3>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	111.3220	0.000	1	111.3220	0.000	1	111.3220	0.000	1	110.6990	1.144	3	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[5,5]-4:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:C[5,5]-4:	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(O[5]C[5,5])(H)	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(H)	O[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]O[5]H)	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|H<1>}	C[3,5](C[5,5]C[5,5]C[5]H)(C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(H){1|C<3>,1|O<2>,3|H<1>}	O[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]O[5]H){1|C<3>,1|C<4>,4|H<1>}	109.4640	0.000	1	109.4640	0.000	1	109.4640	0.000	1	110.6990	1.144	3	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:1:	4:4:	C[3]-4:C[3,5]-4:O[5]-2:H-1:	C[3]-4:C[3,5]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]HH)(H)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]H)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	111.3110	0.000	1	111.3110	0.000	1	111.3110	0.000	1	110.6990	1.144	3	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:S-4:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(SC[6a]OO)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,1|O<2>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO){1|C<4>,1|S<4>,3|H<1>}	107.9695	0.841	2	107.9695	0.707	2	107.8413	0.403	3	107.8413	0.403	3	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:1:	4:4:4:4:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:C[3]-4:C[5]-4:S-4:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H)	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(SC[6a]OO)	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[3]O[5]H)(C[3]C[3,5]HH)(C[5]C[5]HN)(SC[6a]OO){1|H<1>,1|O<2>}	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO){1|N<3>,1|S<4>,3|H<1>}	107.5850	0.000	1	107.5850	0.000	1	107.8413	0.403	3	107.8413	0.403	3	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:3:	4:4:4:3:	4:3:	C[3,5]-4:C[3]-4:O[5]-2:C-3:	C[5,6]-4:C[3]-4:C[3,5]-4:C-3:	C[3,5]-4:N[5,6]-3:	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[5,6]C)(O[5]N[5,6])(COO)	C[3,5](C[5,6]C[6,6a]N[5,6]H)(C[3]C[3,5]C[5,6]C)(C[3,5]C[3]O[5]C)(COO)	O[5](C[3,5]C[3,5]C[3]C)(N[5,6]C[5,6]C[6])	C[3,5](C[3,5]C[5,6]C[3]C)(C[3]C[3,5]C[5,6]C)(O[5]N[5,6])(COO){1|H<1>,2|C<3>,2|C<4>}	C[3,5](C[5,6]C[6,6a]N[5,6]H)(C[3]C[3,5]C[5,6]C)(C[3,5]C[3]O[5]C)(COO){2|C<4>,3|C<3>}	O[5](C[3,5]C[3,5]C[3]C)(N[5,6]C[5,6]C[6]){1|N<3>,2|H<1>,5|C<3>}	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.6050	0.000	1	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:C[3]-4:C[3,5]-4:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3)	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]C)(H)	O[5](C[3,5]C[3,5]C[3]C)2	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C[3,5](C[3,5]C[3,5]C[3]H)(C[3]C[3,5]C[6a]C)(C[3,5]C[3]O[5]C)(H){1|C<4>,4|C<3>}	O[5](C[3,5]C[3,5]C[3]C)2{2|H<1>,4|C<3>}	110.1345	0.094	2	110.1345	0.009	2	110.1345	0.009	2	109.2222	0.846	5	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO)	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HH)(H)	O[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]N[6]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO){1|N<3>,3|H<1>}	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HH)(H){1|H<1>,1|N<3>}	O[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]N[6]H){2|C<3>,2|F<1>,3|H<1>}	108.6990	0.000	1	108.6990	0.000	1	108.6140	0.301	3	109.2222	0.846	5	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO)	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HH)(H)	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO){1|N<3>,3|H<1>}	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HH)(H){1|H<1>,1|N<3>}	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H){2|C<3>,2|F<1>,3|H<1>}	109.1150	0.000	1	109.1150	0.000	1	108.6140	0.301	3	109.2222	0.846	5	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:C-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO)	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HO)(H)	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]FF)(O[5]C[5])(CHHO){1|N<3>,1|O<2>,2|H<1>}	C[3,5](C[3,5]C[3]O[5]C)(C[3]C[3,5]FF)(C[5]C[5]HO)(H){1|H<1>,1|N<3>}	O[5](C[3,5]C[3,5]C[3]C)(C[5]N[6a]C[5]H){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	108.0280	0.000	1	108.0280	0.000	1	108.6140	0.301	3	109.2222	0.846	5	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:3:2:	4:4:4:3:	4:3:	C[3,5]-4:C[3]-4:C[6a]-3:O[5]-2:	C[3,5]-4:C[5]-4:C[3]-4:C[6a]-3:	C[3,5]-4:N[5]-3:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5])	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2)	O[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]CH)(C[6a]C[6a]2)(O[5]N[5]){1|C<4>,3|H<1>,5|C<3>}	C[3,5](C[3,5]C[6a]C[3]O[5])(C[5]C[6a]N[5]H)(C[3]C[3,5]CH)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	O[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]C){1|C<4>,2|H<1>,4|C<3>}	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	107.9970	0.000	1	108.8141	5.129	17	108.6860	3.570	25
486	486	976	5:SP3_SP3_SP3	C[3,5]	C[3,5]	O[5]	4:4:4:2:	4:4:4:2:	4:4:	C[3,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[3,5]-4:C[3]-4:C[3]-4:O[5]-2:	C[5,6]-4:C[3,5]-4:	C[3,5](C[3,5]C[3]2O[5])(C[3]C[3]HH)2(O[5]C[5,6])	C[3,5](C[3,5]C[3]2O[5])(C[3]C[3]HH)2(O[5]C[5,6])	O[5](C[5,6]C[6]N[6]O[5])(C[3,5]C[3,5]C[3]2)	C[3,5](C[3,5]C[3]2O[5])(C[3]C[3]HH)2(O[5]C[5,6]){1|C<3>,1|N<3>,4|H<1>}	C[3,5](C[3,5]C[3]2O[5])(C[3]C[3]HH)2(O[5]C[5,6]){1|C<3>,1|N<3>,4|H<1>}	O[5](C[5,6]C[6]N[6]O[5])(C[3,5]C[3,5]C[3]2){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	104.1705	0.999	2	104.1705	0.998	2	104.1705	0.998	2	104.1705	0.998	2	108.8141	5.129	17	108.6860	3.570	25
486	486	979	0:SP3_SP2_SP3	C[3]	C[3]	Si	4:4:3:1:	4:3:4:3:	3:3:4:	C[3]-4:C[3]-4:Si-3:H-1:	C[3]-4:C[6a]-3:C[3]-4:C-3:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SiC[6a]2)(H)	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]HH)(COO)	Si(C[6a]C[6a]2)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SiC[6a]2)(H){2|C<3>}	C[3](C[3]C[3]SiH)(C[6a]C[6a]2)(C[3]C[3]HH)(COO){2|C<3>,2|H<1>}	Si(C[6a]C[6a]2)2(C[3]C[3]2H)	124.1850	0.000	1	124.1850	0.000	1	124.1850	0.000	1	124.1850	0.000	1	121.5015	14.402	2	121.5015	14.402	2
486	486	979	0:SP3_SP2_SP3	C[3]	C[3]	Si	4:4:3:1:	4:4:1:1:	3:3:4:	C[3]-4:C[3]-4:Si-3:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SiC[6a]2)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]SiH)(H)2	Si(C[6a]C[6a]2)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SiC[6a]2)(H){2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]SiH)(H)2{2|C<3>}	Si(C[6a]C[6a]2)2(C[3]C[3]2H)	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	118.8180	0.000	1	121.5015	14.402	2	121.5015	14.402	2
486	486	983	0:SP3_SP1_SP3	C[3,4]	C[3,4]	C	4:4:4:2:	4:4:4:1:	4:1:	C[3,4]-4:C[3]-4:C[4]-4:C-2:	C[3,4]-4:C[3]-4:C[4]-4:H-1:	C[3,4]-4:N-1:	C[3,4](C[3,4]C[3]C[4]H)(C[3]C[3,4]CH)(C[4]C[4]CH)(CN)	C[3,4](C[3,4]C[3]C[4]C)(C[3]C[3,4]CH)(C[4]C[4]HH)(H)	C(C[3,4]C[3,4]C[3]C[4])(N)	C[3,4](C[3,4]C[3]C[4]H)(C[3]C[3,4]CH)(C[4]C[4]CH)(CN){2|H<1>}	C[3,4](C[3,4]C[3]C[4]C)(C[3]C[3,4]CH)(C[4]C[4]HH)(H){1|C<4>,1|H<1>}	C(C[3,4]C[3,4]C[3]C[4])(N)	129.5850	0.000	1	129.5850	0.000	1	129.5850	0.000	1	129.5850	0.000	1	129.5850	0.000	1	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,4]	C[3]	C	4:4:4:2:	4:4:3:1:	4:1:	C[3,4]-4:C[3]-4:C[4]-4:C-2:	C[3,4]-4:C[3,4]-4:C-3:H-1:	C[3,4]-4:N-1:	C[3,4](C[3,4]C[3]C[4]H)(C[3]C[3,4]CH)(C[4]C[4]CH)(CN)	C[3](C[3,4]C[3,4]C[4]C)(C[3,4]C[3,4]C[4]H)(CHN)(H)	C(C[3,4]C[3,4]C[3]C[4])(N)	C[3,4](C[3,4]C[3]C[4]H)(C[3]C[3,4]CH)(C[4]C[4]CH)(CN){2|H<1>}	C[3](C[3,4]C[3,4]C[4]C)(C[3,4]C[3,4]C[4]H)(CHN)(H){1|C<4>,3|H<1>}	C(C[3,4]C[3,4]C[3]C[4])(N)	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	120.3690	0.000	1	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,5]	C[3,5]	C	4:4:3:2:	4:4:4:1:	4:1:	C[3,5]-4:C[3]-4:C[5]-3:C-2:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:N-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CN)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H)	C(C[3,5]C[3,5]C[3]C[5])(N)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CN){2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(C[5]O[5]HH)(H){1|O<1>}	C(C[3,5]C[3,5]C[3]C[5])(N)	124.7960	0.000	1	124.7960	0.000	1	124.7960	0.000	1	124.7960	0.000	1	123.7940	1.287	3	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,5]	C[3,5]	C	4:4:4:2:	3:4:4:1:	4:1:	C[3,5]-4:C[5]-4:C[3]-4:C-2:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3,5]-4:N-1:	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H)	C(C[3,5]C[3,5]C[3]C[5])(N)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN){4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H){2|H<1>,3|C<3>}	C(C[3,5]C[3,5]C[3]C[5])(N)	124.0240	0.000	1	124.0240	0.000	1	124.0240	0.000	1	124.0240	0.000	1	123.7940	1.287	3	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,5]	C[3,5]	C	4:4:4:2:	4:4:4:1:	4:2:	C[3,5]-4:C[3]-4:C[5]-4:C-2:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]N[5]HH)(CC)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]N[5]HH)(H)	C(C[3,5]C[3,5]C[3]C[5])(CH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]N[5]HH)(CC){1|S<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(C[5]N[5]HH)(H){1|S<4>,2|H<1>}	C(C[3,5]C[3,5]C[3]C[5])(CH)	122.5620	0.000	1	122.5620	0.000	1	122.5620	0.000	1	122.5620	0.000	1	123.7940	1.287	3	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,5]	C[3]	C	4:3:3:2:	4:3:3:1:	4:1:	C[3]-4:N[3,5]-3:C[5]-3:C-2:	C[3,5]-4:N[3,5]-3:C[6a]-3:H-1:	C[3,5]-4:N-1:	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN)	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C(C[3,5]N[3,5]C[3]C[5])(N)	C[3,5](C[3]N[3,5]C[6a]H)(N[3,5]C[3]C[5])(C[5]C[5]N)(CN){1|C<2>,1|H<1>,3|C<3>}	C[3](C[3,5]N[3,5]C[5]C)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,3|H<1>,4|C<3>}	C(C[3,5]N[3,5]C[3]C[5])(N)	120.6080	0.000	1	120.6080	0.000	1	120.6080	0.000	1	120.6080	0.000	1	119.6800	2.008	4	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,5]	C[3]	C	4:4:3:2:	4:4:3:1:	4:1:	C[3,5]-4:C[3]-4:C[5]-3:C-2:	C[3,5]-4:C[3,5]-4:C-3:H-1:	C[3,5]-4:N-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CN)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CCH)(H)	C(C[3,5]C[3,5]C[3]C[5])(N)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]O[5]O)(CN){2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CCH)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[3,5]C[3,5]C[3]C[5])(N)	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	119.6800	2.008	4	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,5]	C[3]	C	4:4:4:2:	4:4:3:2:	4:1:	C[3,5]-4:C[5]-4:C[3]-4:C-2:	C[3,5]-4:C[3,5]-4:C-3:C-2:	C[3,5]-4:N-1:	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]C)(CCH)(CN)	C(C[3,5]C[3,5]C[3]C[5])(N)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN){4|C<3>}	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]C)(CCH)(CN){1|H<1>,3|C<3>}	C(C[3,5]C[3,5]C[3]C[5])(N)	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	117.8600	0.000	1	119.6800	2.008	4	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,5]	C[3]	C	4:4:4:2:	4:4:4:4:	4:2:	C[3,5]-4:C[3]-4:C[5]-4:C-2:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3,5]-4:C-2:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]N[5]HH)(CC)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)2	C(C[3,5]C[3,5]C[3]C[5])(CH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]N[5]HH)(CC){1|S<4>,2|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)2{1|N<3>,4|H<1>}	C(C[3,5]C[3,5]C[3]C[5])(CH)	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	119.6800	2.008	4	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,6,6]	C[3,5,6,6]	C	4:4:3:2:	4:4:4:3:	4:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-2:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[5,6]-3:	C[3,6,6]-4:N-1:	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5])	C(C[3,6,6]C[3,5,6,6]2C[6,6])(N)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN){2|C<3>,2|C<4>,7|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]C[6])(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[5,6]C[5,6]C[5]){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C(C[3,6,6]C[3,5,6,6]2C[6,6])(N)	117.0060	0.010	2	117.0060	0.000	2	117.0060	0.000	2	117.5640	0.513	4	117.5640	0.513	4	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,6,6]	C[3,5,6,6]	C	4:4:3:2:	4:4:4:3:	4:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6,6]-3:C-2:	C[3,5,6,6]-4:C[3,6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6]-4:N-1:	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN)	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H)	C(C[3,6,6]C[3,5,6,6]2C[6,6])(N)	C[3,6,6](C[3,5,6,6]C[3,5,6,6]C[5,6]C[6])(C[3,5,6,6]C[3,5,6,6]C[5,6]2)(C[6,6]C[6,6]O)(CN){2|C<3>,2|C<4>,7|H<1>}	C[3,5,6,6](C[3,5,6,6]C[3,6,6]C[5,6]2)(C[3,6,6]C[3,5,6,6]C[6,6]C)(C[5,6]C[5,6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(C[3,6,6]C[3,5,6,6]2C[6,6])(N)	118.1220	0.543	2	118.1220	0.295	2	118.1220	0.295	2	117.5640	0.513	4	117.5640	0.513	4	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,6]	C[3,6]	C	4:4:2:2:	4:2:2:2:	4:1:	C[6]-4:C[3,6]-4:N[3]-2:C-2:	C[3,6]-4:N[3]-2:O[6]-2:O-2:	C[3,6]-4:N-1:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6])(CN)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC)	C(C[3,6]C[3,6]C[6]N[3])(N)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6])(CN){4|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6])(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[3,6]C[3,6]C[6]N[3])(N)	117.8510	0.000	1	117.8510	0.000	1	117.8510	0.000	1	117.8510	0.000	1	117.9643	3.484	7	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,6]	C[3,6]	C	4:4:3:2:	4:3:2:2:	4:1:	C[3,6]-4:C[6]-4:N[3]-3:C-2:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:N-1:	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	C(C[3,6]C[3,6]C[6]N[3])(N)	C[3,6](C[3,6]N[3]O[6]O)(C[6]C[6,6a]CH)(N[3]C[3,6]H)(CN){2|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[3,6]C[3,6]C[6]N[3])(N)	115.8710	0.000	1	115.8710	0.000	1	115.8710	0.000	1	116.7755	1.114	4	117.9643	3.484	7	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,6]	C[3,6]	C	4:4:3:2:	4:3:2:2:	4:1:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:N-1:	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC)	C(C[3,6]C[3,6]C[6]N[3])(N)	C[3,6](C[6]C[6,6]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6])(OC){1|C<4>,1|H<1>,2|C<3>}	C(C[3,6]C[3,6]C[6]N[3])(N)	115.9440	0.000	1	115.9440	0.000	1	117.0770	1.126	3	116.7755	1.114	4	117.9643	3.484	7	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,6]	C[3,6]	C	4:4:3:2:	4:3:2:2:	4:1:	C[6]-4:C[3,6]-4:N[3]-3:C-2:	C[3,6]-4:N[3]-3:O[6]-2:O-2:	C[3,6]-4:N-1:	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN)	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC)	C(C[3,6]C[3,6]C[6]N[3])(N)	C[3,6](C[6]C[6,6a]C[6a]H)(C[3,6]N[3]O[6]O)(N[3]C[3,6]H)(CN){4|C<3>}	C[3,6](C[3,6]C[6]N[3]C)(N[3]C[3,6]H)(O[6]C[6,6a])(OC){1|H<1>,3|C<3>}	C(C[3,6]C[3,6]C[6]N[3])(N)	117.6435	0.571	2	117.6435	0.326	2	117.0770	1.126	3	116.7755	1.114	4	117.9643	3.484	7	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,6]	C[3,6]	C	4:4:3:2:	4:4:4:1:	4:2:	C[3,6]-4:C[3]-4:C[6]-3:C-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C-2:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C(C[3,6]C[3,6]C[3]C[6])(CH)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,2|H<1>}	C(C[3,6]C[3,6]C[3]C[6])(CH)	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	120.5510	0.000	1	117.9643	3.484	7	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,6]	C[3,6]	C	4:4:4:2:	4:4:4:1:	4:2:	C[3,6]-4:C[3]-4:C[6]-4:C-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3,6]-4:C-2:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H)	C(C[3,6]C[3,6]C[3]C[6])(CSi)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[3,6]C[3,6]C[3]C[6])(CSi)	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	117.9643	3.484	7	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,6]	C[3]	C	4:4:3:2:	4:4:3:1:	4:2:	C[3,6]-4:C[3]-4:C[6]-3:C-2:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C-2:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H)	C(C[3,6]C[3,6]C[3]C[6])(CH)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]N)(CC){1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H){1|N<2>,2|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[3]C[6])(CH)	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	120.2790	0.000	1	118.3420	7.504	2	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3,6]	C[3]	C	4:4:4:2:	4:4:3:1:	4:2:	C[3,6]-4:C[3]-4:C[6]-4:C-2:	C[3,6]-4:C[3,6]-4:C-3:H-1:	C[3,6]-4:C-2:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H)	C(C[3,6]C[3,6]C[3]C[6])(CSi)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]C[6]HO)(CC){1|C<4>,4|H<1>}	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(COO)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[3]C[6])(CSi)	116.4050	0.000	1	116.4050	0.000	1	116.4050	0.000	1	116.4050	0.000	1	118.3420	7.504	2	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,5,6,6]	C	4:4:3:2:	3:3:4:4:	4:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-2:	C[5,6,6a]-3:C[5,6,6a]-3:C[3,5,6,6]-4:C[3]-4:	C[3]-4:N-1:	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN)	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C)	C(C[3]C[3,5,6,6]2C[6a])(N)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CN){10|C<3>,2|H<1>}	C[3,5,6,6](C[5,6,6a]C[5,6a,6a]C[5a,6,6a])2(C[3,5,6,6]C[5,6,6a]2C[3])(C[3]C[3,5,6,6]C[6a]C){10|C<3>}	C(C[3]C[3,5,6,6]2C[6a])(N)	114.8175	1.370	2	114.8175	1.876	2	114.8175	1.876	2	114.8175	1.876	2	114.8175	1.876	2	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,5]	C	4:4:2:1:	4:4:3:4:	4:1:	C[3]-4:C[3,5]-4:C-2:H-1:	C[3]-4:C[5]-4:C[5]-3:C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)(H)	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH)	C(C[3]C[3,5]C[3]H)(N)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)(H){1|O<1>,2|H<1>,4|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[3]C[3]CH){4|C<3>}	C(C[3]C[3,5]C[3]H)(N)	117.6020	0.000	1	117.6020	0.000	1	117.6020	0.000	1	117.6020	0.000	1	117.5969	2.433	15	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,5]	C	4:4:2:2:	3:3:4:4:	4:1:	C[3,5]-4:C[3]-4:C-2:C-2:	C[5,6a]-3:C[5,6a]-3:C[3]-4:C[3]-4:	C[3]-4:N-1:	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]OO)(CN)2	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO)	C(C[3]C[3,5]C[3]C)(N)	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]OO)(CN)2{4|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])2(C[3]C[3]CC)(C[3]C[3]OO){2|H<1>,4|C<3>}	C(C[3]C[3,5]C[3]C)(N)	118.4652	0.757	4	118.4652	0.573	4	118.4652	0.573	4	118.4652	0.573	4	117.5969	2.433	15	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,5]	C	4:4:2:2:	4:4:3:3:	4:1:	C[3]-4:C[3,5]-4:C-2:C-2:	C[3]-4:C[3]-4:C[5]-3:C[5]-3:	C[3]-4:N-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O)	C(C[3]C[3,5]C[3]C)(N)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2{1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[3,5](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[5]N[5]C)(C[5]N[5]O){3|C<3>}	C(C[3]C[3,5]C[3]C)(N)	118.2805	0.814	2	118.2805	0.662	2	118.2805	0.662	2	118.2805	0.662	2	117.5969	2.433	15	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,5]	C	4:4:3:2:	3:3:4:4:	4:1:	C[3,5]-4:C[3]-4:C-3:C-2:	C[5]-3:C[5]-3:C[3]-4:C[3]-4:	C[3]-4:N-1:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(COO)(CN)	C[3,5](C[5]C[5,6a]O)2(C[3]C[3]CC)2	C(C[3]C[3,5]C[3]C)(N)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(COO)(CN){2|C<3>,2|O<1>}	C[3,5](C[5]C[5,6a]O)2(C[3]C[3]CC)2{2|C<3>}	C(C[3]C[3,5]C[3]C)(N)	117.8907	1.478	4	117.8907	2.183	4	117.8907	2.183	4	117.8907	2.183	4	117.5969	2.433	15	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,5]	C	4:4:3:2:	3:4:4:1:	4:1:	C[3,5]-4:C[3,5]-4:C-3:C-2:	C[5,6a]-3:C[3,5]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]C)(CCH)(CN)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H)	C(C[3]C[3,5]2C)(N)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]C)(CCH)(CN){1|H<1>,3|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]C[5]C)(C[3]C[3,5]CC)(H){2|H<1>,3|C<3>}	C(C[3]C[3,5]2C)(N)	113.8760	0.000	1	113.8760	0.000	1	113.8760	0.000	1	113.8760	0.000	1	117.5969	2.433	15	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,5]	C	4:4:3:2:	3:4:4:4:	4:1:	C[3,5]-4:C[3,5]-4:C-3:C-2:	C[5,6a]-3:C[3,5]-4:C[3]-4:C-4:	C[3]-4:N-1:	C[3](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[3,5]N[5]H)(COO)(CN)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH)	C(C[3]C[3,5]2C)(N)	C[3](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[3,5]N[5]H)(COO)(CN){3|C<3>}	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[3]C[3,5]2C)(N)	117.5860	0.000	1	117.5860	0.000	1	117.5860	0.000	1	117.5860	0.000	1	117.5969	2.433	15	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,5]	C	4:4:3:2:	4:4:3:1:	4:1:	C[3,5]-4:C[3,5]-4:C-3:C-2:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	C[3]-4:N-1:	C[3](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[3,5]N[5]H)(COO)(CN)	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H)	C(C[3]C[3,5]2C)(N)	C[3](C[3,5]C[5,6a]C[3,5]C)(C[3,5]C[3,5]N[5]H)(COO)(CN){3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]C)(C[3]C[3,5]CC)(N[5]C[5,6a]C)(H){2|C<3>}	C(C[3]C[3,5]2C)(N)	117.9320	0.000	1	117.9320	0.000	1	117.9320	0.000	1	117.9320	0.000	1	117.5969	2.433	15	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,5]	C	4:4:3:2:	4:4:4:2:	4:1:	C[3,5]-4:C[3,5]-4:C-3:C-2:	C[3,5]-4:C[5]-4:C[3]-4:C-2:	C[3]-4:N-1:	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]C)(CCH)(CN)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN)	C(C[3]C[3,5]2C)(N)	C[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5]C)(CCH)(CN){1|H<1>,3|C<3>}	C[3,5](C[3,5]C[5,6a]C[3]H)(C[5]C[5,6a]C[6a]H)(C[3]C[3,5]CC)(CN){4|C<3>}	C(C[3]C[3,5]2C)(N)	114.9730	0.000	1	114.9730	0.000	1	114.9730	0.000	1	114.9730	0.000	1	117.5969	2.433	15	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,6,6]	C	4:4:2:2:	4:4:4:4:	4:1:	C[3,6,6]-4:C[3]-4:C-2:C-2:	C[3x6]-4:C[3x6]-4:C[3]-4:C[3]-4:	C[3]-4:N-1:	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)(CN)2	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]C[3]CC)(C[3]C[3]OO)	C(C[3]C[3,6,6]C[3]C)(N)	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)(CN)2{2|H<1>,4|C<4>}	C[3,6,6](C[3x6]C[6,6]2H)2(C[3]C[3]CC)(C[3]C[3]OO){2|C<4>,8|H<1>}	C(C[3]C[3,6,6]C[3]C)(N)	118.7605	0.368	2	118.7605	0.136	2	118.7605	0.136	2	118.7605	0.136	2	121.1885	9.739	4	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,6,6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[3,6,6]-4:C[3,6,6]-4:C-3:C-2:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(COO)(CN)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H)	C(C[3]C[3,6,6]2C)(N)	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(COO)(CN){2|C<3>,2|H<1>,2|N<3>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C(C[3]C[3,6,6]2C)(N)	121.9580	0.000	1	123.6165	5.501	2	123.6165	5.501	2	123.6165	5.501	2	121.1885	9.739	4	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,6,6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[3,6,6]-4:C[3,6,6]-4:C-3:C-2:	C[3x6]-4:C[3,6,6]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(COO)(CN)	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H)	C(C[3]C[3,6,6]2C)(N)	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(COO)(CN){2|C<3>,2|H<1>,2|N<3>}	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]C[3]H)(C[3]C[3,6,6]CC)(H){1|N<3>,2|C<3>,2|H<1>}	C(C[3]C[3,6,6]2C)(N)	125.2750	0.000	1	123.6165	5.501	2	123.6165	5.501	2	123.6165	5.501	2	121.1885	9.739	4	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,6]	C	4:4:2:1:	3:3:4:4:	4:1:	C[3,6]-4:C[3]-4:C-2:H-1:	N[6]-3:N[6]-3:C[3]-4:C[3]-4:	C[3]-4:N-1:	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]CH)(CN)(H)	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]CH)2	C(C[3]C[3,6]C[3]H)(N)	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]CH)(CN)(H){4|C<3>}	C[3,6](N[6]C[6a]C[6])2(C[3]C[3]CH)2{1|C<4>,2|O<1>,4|C<3>}	C(C[3]C[3,6]C[3]H)(N)	126.6555	0.951	2	126.6555	0.905	2	126.6555	0.905	2	126.6555	0.905	2	120.1082	17.554	8	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,6]	C	4:4:3:2:	4:4:3:1:	4:1:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-2:	C[3]-4:C[3,6]-4:C[6]-3:H-1:	C[3]-4:N-1:	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(CN)	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H)	C(C[3]C[3,6]2C[6a])(N)	C[3](C[3,6]C[3,6]C[6]H)2(C[6a]C[6a]2)(CN){4|C<3>,4|H<1>}	C[3,6](C[3]C[3,6]C[6a]C)(C[3,6]C[3]C[6]H)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C(C[3]C[3,6]2C[6a])(N)	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1	116.4770	0.000	1	120.1082	17.554	8	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,6]	C	4:4:3:2:	4:4:3:3:	4:1:	C[3]-4:C[3,6]-4:C-3:C-2:	C[3]-4:C[3]-4:C[6]-3:C[6]-3:	C[3]-4:N-1:	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(CN)	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2	C(C[3]C[3,6]C[3]C)(N)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(CN){2|C<3>,2|N<3>,2|O<1>}	C[3,6](C[3]C[6a]C[3]H)(C[3]C[3]CC)(C[6]N[6]O)2{2|C<4>,3|C<3>}	C(C[3]C[3,6]C[3]C)(N)	118.0630	0.000	1	118.0630	0.000	1	118.0630	0.000	1	118.0630	0.000	1	120.1082	17.554	8	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[3,6]-4:C[3,6]-4:C-3:C-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:N-1:	C[3](C[3,6]C[3,6]C[6]H)2(COO)(CN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H)	C(C[3]C[3,6]2C)(N)	C[3](C[3,6]C[3,6]C[6]H)2(COO)(CN){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]CH)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[3]C[3,6]2C)(N)	119.0640	0.000	1	119.0640	0.000	1	119.3155	0.127	2	119.3155	0.127	2	120.1082	17.554	8	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,6]	C	4:4:3:2:	4:4:4:1:	4:1:	C[3,6]-4:C[3,6]-4:C-3:C-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:N-1:	C[3](C[3,6]C[3,6]C[6]H)2(COO)(CN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(H)	C(C[3]C[3,6]2C)(N)	C[3](C[3,6]C[3,6]C[6]H)2(COO)(CN){1|O<2>,2|H<1>,3|C<4>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HO)(H){1|O<2>,2|C<4>,2|H<1>}	C(C[3]C[3,6]2C)(N)	119.5670	0.000	1	119.5670	0.000	1	119.3155	0.127	2	119.3155	0.127	2	120.1082	17.554	8	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,6]	C	4:4:4:2:	4:4:3:1:	4:1:	C[3,6]-4:C[3,6]-4:C-4:C-2:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:N-1:	C[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)(CN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H)	C(C[3]C[3,6]2C)(N)	C[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)(CN){1|O<1>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C(C[3]C[3,6]2C)(N)	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	117.6830	0.000	1	120.1082	17.554	8	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3,6]	C	4:4:4:2:	4:4:4:1:	4:1:	C[3,6]-4:C[3,6]-4:C-4:C-2:	C[3,6]-4:C[3]-4:C[6]-4:H-1:	C[3]-4:N-1:	C[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)(CN)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H)	C(C[3]C[3,6]2C)(N)	C[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)(CN){1|O<1>,2|C<4>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CC)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C(C[3]C[3,6]2C)(N)	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	116.7010	0.000	1	120.1082	17.554	8	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	3:4:4:2:	4:3:4:1:	4:2:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:C-2:	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C(C[3]C[6a]C[3]2)(CC[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC){1|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C(C[3]C[6a]C[3]2)(CC[6a])	118.0730	0.000	1	118.0730	0.000	1	118.0730	0.000	1	118.0730	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	3:4:4:2:	4:4:1:1:	4:2:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C(C[3]C[6a]C[3]2)(CC[6a])	C[3](C[6a]C[6a]N[6a])(C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC){1|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{1|N<2>,3|C<3>}	C(C[3]C[6a]C[3]2)(CC[6a])	116.9340	0.000	1	116.9340	0.000	1	116.9340	0.000	1	116.9340	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	3:4:4:2:	4:4:4:4:	4:2:	C[6a]-3:C[3]-4:C[3]-4:C-2:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-2:	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(CC)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CH3)2	C(C[3]C[6a]C[3]2)(CC[5a])	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(CC){1|H<1>,3|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CH3)2{2|C<3>}	C(C[3]C[6a]C[3]2)(CC[5a])	116.3445	1.257	2	116.3445	1.579	2	116.3445	1.579	2	116.3445	1.579	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:2:2:2:	4:2:2:2:	4:1:	C[3]-4:O[3]-2:C-2:C-2:	C[3]-4:O[3]-2:C-2:C-2:	C[3]-4:N-1:	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	C(C[3]C[3]O[3]C)(N)	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	C(C[3]C[3]O[3]C)(N)	117.7745	0.456	4	117.7745	0.208	4	117.7745	0.208	4	117.7745	0.208	4	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:2:3:2:	3:4:2:1:	4:1:	C[3]-4:O[3]-2:C-3:C-2:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C(C[3]C[3]O[3]C)(N)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C(C[3]C[3]O[3]C)(N)	119.1040	0.000	1	119.1040	0.000	1	118.9375	0.055	2	118.9375	0.055	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:2:3:2:	3:4:2:1:	4:1:	C[3]-4:O[3]-2:C-3:C-2:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C(C[3]C[3]O[3]C)(N)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>}	C(C[3]C[3]O[3]C)(N)	118.7710	0.000	1	118.7710	0.000	1	118.9375	0.055	2	118.9375	0.055	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:2:4:2:	3:4:2:1:	4:1:	C[3]-4:O[3]-2:C-4:C-2:	C[6a]-3:C[3]-4:O[3]-2:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H)	C(C[3]C[3]O[3]C)(N)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(H){2|C<3>,2|H<1>}	C(C[3]C[3]O[3]C)(N)	118.2510	0.000	1	118.2510	0.000	1	118.2510	0.000	1	118.2510	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:2:4:2:	4:4:2:4:	4:2:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:C-2:	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C(C[3]C[3]O[3]C)(CC[6a])	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C(C[3]C[3]O[3]C)(CC[6a])	117.4300	0.000	1	117.4300	0.000	1	117.4300	0.000	1	117.4300	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:3:2:1:	4:3:4:1:	4:1:	C[3]-4:C[3]-3:C-2:H-1:	C[3]-4:C[3]-3:S-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]HS)(C[3]C[3]C)(CN)(H)	C[3](C[3]C[3]CH)(C[3]C[3]C)(SC[6a]OO)(H)	C(C[3]C[3]2H)(N)	C[3](C[3]C[3]HS)(C[3]C[3]C)(CN)(H)	C[3](C[3]C[3]CH)(C[3]C[3]C)(SC[6a]OO)(H)	C(C[3]C[3]2H)(N)	116.5120	0.000	1	116.5120	0.000	1	116.5120	0.000	1	116.5120	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:3:2:1:	4:3:4:1:	4:2:	C[3]-4:N[3]-3:C-2:H-1:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-2:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	C(C[3]C[3]N[3]H)(CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	C(C[3]C[3]N[3]H)(CH)	123.5340	0.000	1	123.5340	0.000	1	123.5340	0.000	1	123.5340	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:3:3:2:	4:3:1:1:	4:1:	C[3]-4:C[3]-3:C-3:C-2:	C[3]-4:C[3]-3:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]HH)(C[3]C[3]C)(COO)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]C)(H)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]HH)(C[3]C[3]C)(COO)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]C)(H)2	C(C[3]C[3]2C)(N)	116.5417	0.957	3	116.5417	0.916	3	116.5417	0.916	3	116.5417	0.916	3	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:3:4:2:	4:3:4:1:	4:1:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C(C[3]C[6a]C[3]2)(N)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]2)(N)	117.6530	0.000	1	117.6530	0.000	1	115.2480	11.568	2	115.2480	11.568	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:3:4:2:	4:3:4:1:	4:1:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H)	C(C[3]C[6a]C[3]2)(N)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(H){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]2)(N)	112.8430	0.000	1	112.8430	0.000	1	115.2480	11.568	2	115.2480	11.568	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:3:4:2:	4:3:4:1:	4:2:	C[3]-4:N[3]-3:C-4:C-2:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-2:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	C(C[3]C[3]N[3]C)(CH)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	C(C[3]C[3]N[3]C)(CH)	119.4700	0.704	2	119.4700	0.496	2	119.2520	1.900	5	119.2520	1.900	5	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:3:4:2:	4:3:4:1:	4:2:	C[3]-4:N[3]-3:C-4:C-2:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-2:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C(C[3]C[3]N[3]C)(CC)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C(C[3]C[3]N[3]C)(CC)	118.5310	0.000	1	118.5310	0.000	1	119.2520	1.900	5	119.2520	1.900	5	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:3:4:2:	4:3:4:1:	4:2:	C[3]-4:N[3]-3:C-4:C-2:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-2:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C(C[3]C[3]N[3]C)(CH)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(CC)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C(C[3]C[3]N[3]C)(CH)	119.3945	2.539	2	119.3945	6.448	2	119.2520	1.900	5	119.2520	1.900	5	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:3:4:2:	4:4:1:1:	4:1:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2	C(C[3]C[6a]C[3]2)(N)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CN){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(H)2{4|C<3>}	C(C[3]C[6a]C[3]2)(N)	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	115.3670	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:3:4:2:	4:4:3:3:	4:1:	C[3]-4:C[6a]-3:C[3]-4:C-2:	C[3]-4:C[3]-4:C-3:C-3:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(COO)2	C(C[3]C[6a]C[3]2)(N)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(CN){2|H<1>,4|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(COO)2{4|C<3>}	C(C[3]C[6a]C[3]2)(N)	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	3:3:4:4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3]-4:C-2:	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CC)(H)	C[3](C[6a]C[6a]2)2(C[3]C[3]CH)(C[3]C[3]HH)	C(C[3]C[3]2H)(CH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CC)(H){4|C<3>}	C[3](C[6a]C[6a]2)2(C[3]C[3]CH)(C[3]C[3]HH){4|C<3>,4|H<1>}	C(C[3]C[3]2H)(CH)	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-2:H-1:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H)	C(C[3]C[3]2H)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)2(H){2|C<3>,2|H<1>}	C(C[3]C[3]2H)(N)	118.4995	1.078	2	118.4995	1.163	2	118.4995	1.163	2	118.4995	1.163	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	3:4:4:4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:C-2:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C(C[3]C[3]2H)(CC[6a])	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C(C[3]C[3]2H)(CC[6a])	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC)(H)	C[3](C[3]C[3]CH)2(H)2	C(C[3]C[3]2H)(CH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC)(H)	C[3](C[3]C[3]CH)2(H)2	C(C[3]C[3]2H)(CH)	120.2690	0.000	1	120.2690	0.000	1	119.1313	1.612	77	119.1293	1.591	78	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC)(H)	C[3](C[3]C[3]C[5]H)(C[3]C[3]CH)(H)2	C(C[3]C[3]2H)(CH)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC)(H){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[3]C[5]H)(C[3]C[3]CH)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]2H)(CH)	120.6905	1.142	2	120.6905	1.304	2	119.1313	1.612	77	119.1293	1.591	78	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]HH)2(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(CC)	C[3](C[3]C[3]HH)2(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(CC)	118.8981	1.232	58	118.8981	1.517	58	119.1313	1.612	77	119.1293	1.591	78	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]HH)2(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(CC[6])	C[3](C[3]C[3]HH)2(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(CC[6])	120.3193	0.976	4	120.3193	0.953	4	119.1313	1.612	77	119.1293	1.591	78	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]HH)2(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(CC[6a])	C[3](C[3]C[3]HH)2(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(CC[6a])	119.3882	1.818	5	119.3882	3.305	5	119.1313	1.612	77	119.1293	1.591	78	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]HH)2(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(CHf)	C[3](C[3]C[3]HH)2(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(CHf)	119.4290	0.342	3	119.4290	0.117	3	119.1313	1.612	77	119.1293	1.591	78	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]HH)2(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(CZr)	C[3](C[3]C[3]HH)2(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(CZr)	120.0995	0.924	2	120.0995	0.854	2	119.1313	1.612	77	119.1293	1.591	78	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CC)(H)	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(H)2	C(C[3]C[3]2H)(CH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CC)(H){4|C<3>}	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(H)2{4|C<3>}	C(C[3]C[3]2H)(CH)	119.1210	0.000	1	119.1210	0.000	1	119.1313	1.612	77	119.1293	1.591	78	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2	C(C[3]C[3]2H)(CC[6a])	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC)(H){2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(H)2{2|C<3>}	C(C[3]C[3]2H)(CC[6a])	119.5440	0.000	1	119.5440	0.000	1	119.1313	1.612	77	119.1293	1.591	78	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-2:	C[3](C[3]C[3]HH)2(CN)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(NAs)	C[3](C[3]C[3]HH)2(CN)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(NAs)	118.9800	0.000	1	118.9800	0.000	1	118.9800	0.000	1	119.1293	1.591	78	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:1:1:	4:3:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6]-3:	C[3](C[3]C[3]HH)2(CC[6])(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(C[6]Si[6]2)	C[3](C[3]C[3]HH)2(CC[6])(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(H)2	C(C[3]C[3]2H)(C[6]Si[6]2)	117.7290	0.477	2	117.7290	0.227	2	117.7290	0.227	2	117.7290	0.227	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:2:1:	4:1:	C[3,6]-4:C[3]-4:C-2:H-1:	C[3,6]-4:C[3]-4:C-2:H-1:	C[3]-4:N-1:	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]CH)(CN)(H)	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]CH)(CN)(H)	C(C[3]C[3,6]C[3]H)(N)	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]CH)(CN)(H){4|C<3>}	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]CH)(CN)(H){4|C<3>}	C(C[3]C[3,6]C[3]H)(N)	117.0880	0.150	2	117.0880	0.022	2	117.0880	0.022	2	117.0880	0.022	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:3:1:	4:1:	C[3]-4:C[3,5]-4:C-2:H-1:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:N-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)(H)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H)	C(C[3]C[3,5]C[3]H)(N)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)(H){1|O<1>,2|H<1>,4|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(C[6a]C[6a]2)(H){1|O<1>,4|C<3>,4|H<1>}	C(C[3]C[3,5]C[3]H)(N)	123.5960	0.000	1	123.5960	0.000	1	123.5960	0.000	1	119.2620	15.038	3	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:3:1:	4:1:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCH)(H)	C(C[3]C[3]2H)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)(H){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCH)(H){2|C<3>}	C(C[3]C[3]2H)(N)	117.0950	1.379	2	117.0950	1.901	2	117.0950	1.901	2	119.2620	15.038	3	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:3:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(COO)(H)	C(C[3]C[3]2H)(CH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(COO)(H)	C(C[3]C[3]2H)(CH)	119.9560	0.000	1	119.9560	0.000	1	119.9560	0.000	1	119.9560	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:1:	4:4:4:1:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC)(H)	C[3](C[5]C[5,5]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(H)	C(C[3]C[3]2H)(CH)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC)(H){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5,5]O[5]H)(C[3]C[3]CH)(C[3]C[3]HH)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[3]C[3]2H)(CH)	120.0980	0.259	2	120.0980	0.067	2	120.0980	0.067	2	120.0980	0.067	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CN)2	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CN)2{2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C(C[3]C[3]2C)(N)	118.1405	0.633	2	118.1405	0.401	2	118.2596	1.077	14	118.2596	1.077	14	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2{2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){1|Br<1>,1|H<1>,2|C<3>}	C(C[3]C[3]2C)(N)	117.3255	0.930	2	118.2795	1.234	12	118.2596	1.077	14	118.2596	1.077	14	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2{2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C(C[3]C[3]2C)(N)	118.4703	1.081	10	118.2795	1.234	12	118.2596	1.077	14	118.2596	1.077	14	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	3:4:4:4:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CN)2	C[3](C[6a]C[5a,6a]C[6a])(C[3]C[3]CC)2(CH3)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CN)2{2|C<3>}	C[3](C[6a]C[5a,6a]C[6a])(C[3]C[3]CC)2(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C(C[3]C[3]2C)(N)	118.8470	1.377	2	118.8470	1.897	2	118.8470	1.897	2	118.8470	1.897	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:3:4:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:C[6a]-3:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)2(CN)2	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)2(CN)2{4|C<3>}	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]CC)(H){2|H<1>,4|C<3>}	C(C[3]C[3]2C)(N)	118.3413	0.645	4	118.3413	0.416	4	118.3413	0.416	4	118.3413	0.416	4	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3,5]-4:C[3]-4:C-2:C-2:	C[3,5]-4:C[3]-4:O-2:O-2:	C[3]-4:N-1:	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]OO)(CN)2	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]CC)(OC)2	C(C[3]C[3,5]C[3]C)(N)	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]OO)(CN)2{4|C<3>}	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]CC)(OC)2{4|C<3>}	C(C[3]C[3,5]C[3]C)(N)	118.2572	0.981	4	118.2572	0.963	4	118.2572	0.963	4	117.6684	1.087	8	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3,6,6]-4:C[3]-4:C-2:C-2:	C[3,6,6]-4:C[3]-4:O-2:O-2:	C[3]-4:N-1:	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)(CN)2	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]CC)(OC)2	C(C[3]C[3,6,6]C[3]C)(N)	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)(CN)2{2|H<1>,4|C<4>}	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]CC)(OC)2{2|H<1>,4|C<4>}	C(C[3]C[3,6,6]C[3]C)(N)	117.5375	1.015	2	117.5375	1.030	2	117.5375	1.030	2	117.6684	1.087	8	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:4:2:2:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:N-1:	C[3](C[3]C[3]CC)2(CN)2	C[3](C[3]C[3]CC)2(CN)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]CC)2(CN)2	C[3](C[3]C[3]CC)2(CN)2	C(C[3]C[3]2C)(N)	116.6215	0.281	2	116.6215	0.079	2	116.6215	0.079	2	117.6684	1.087	8	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3]-4:C[3,5]-4:C-2:C-2:	C[3,5]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:N-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H)	C(C[3]C[3,5]C[3]C)(N)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2{1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[3]C[3,5]C[3]C)(N)	120.2825	2.063	2	120.2825	4.254	2	120.2825	4.254	2	118.6181	7.321	14	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCH)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2{2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCH)(H){2|C<3>}	C(C[3]C[3]2C)(N)	118.2555	2.494	2	118.2555	6.220	2	118.3407	7.678	12	118.6181	7.321	14	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6a]O)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2{2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6a]O)(H){2|C<3>}	C(C[3]C[3]2C)(N)	118.2673	3.480	6	118.2673	12.114	6	118.3407	7.678	12	118.6181	7.321	14	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:4:3:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2{2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(H){2|C<3>}	C(C[3]C[3]2C)(N)	118.4933	2.417	4	118.4933	5.843	4	118.3407	7.678	12	118.6181	7.321	14	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:4:3:3:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:C[3]-4:C-3:C-3:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CN)2	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CN)2{2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)2{2|C<3>}	C(C[3]C[3]2C)(N)	119.0610	1.594	2	119.0610	2.540	2	119.0610	2.540	2	119.0610	2.540	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:4:4:4:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:N-1:	C[3](C[3]C[3]CC)2(CN)2	C[3](C[3]C[3]CC)2(CH3)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]CC)2(CN)2	C[3](C[3]C[3]CC)2(CH3)2	C(C[3]C[3]2C)(N)	119.4930	0.120	2	119.4930	0.014	2	118.6877	1.438	4	118.6877	1.438	4	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:2:2:	4:4:4:4:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CN)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CH3)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CN)2{2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CH3)2{2|C<3>}	C(C[3]C[3]2C)(N)	117.8825	1.306	2	117.8825	1.706	2	118.6877	1.438	4	118.6877	1.438	4	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(CN)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)2(H){2|C<3>,2|H<1>}	C(C[3]C[3]2C)(N)	116.8170	0.000	1	116.8170	0.000	1	117.3083	2.730	7	117.3083	2.730	7	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)(CN)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CH)(H){2|C<3>,2|H<1>}	C(C[3]C[3]2C)(N)	116.6040	0.000	1	116.6040	0.000	1	117.3083	2.730	7	117.3083	2.730	7	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(CN)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C(C[3]C[3]2C)(N)	116.3650	0.000	1	116.3650	0.000	1	117.3083	2.730	7	117.3083	2.730	7	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(CN)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C(C[3]C[3]2C)(N)	117.3230	0.000	1	117.3230	0.000	1	117.3083	2.730	7	117.3083	2.730	7	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(CN)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|Br<1>,1|H<1>,2|C<3>}	C(C[3]C[3]2C)(N)	115.9670	0.000	1	115.9670	0.000	1	117.3083	2.730	7	117.3083	2.730	7	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)(CN)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|F<1>}	C(C[3]C[3]2C)(N)	117.1770	0.000	1	117.1770	0.000	1	117.3083	2.730	7	117.3083	2.730	7	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(COO)(CN)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(COO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HS)(H){2|C<3>,2|H<1>}	C(C[3]C[3]2C)(N)	120.9050	0.000	1	120.9050	0.000	1	117.3083	2.730	7	117.3083	2.730	7	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	3:4:4:1:	4:2:	C[3]-4:C[3]-4:C-3:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C-2:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCO)(CC)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C(C[3]C[3]2C)(CC[6a])	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCO)(CC){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	C(C[3]C[3]2C)(CC[6a])	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	120.0170	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(COO)(CN)	C[3](C[3]C[3]C[5]H)(C[3]C[3]CC)(H)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(COO)(CN){1|C<4>,1|H<1>,1|O<2>}	C[3](C[3]C[3]C[5]H)(C[3]C[3]CC)(H)2{1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]2C)(N)	117.4180	0.055	2	117.4180	0.003	2	116.6856	2.765	8	116.6856	2.765	8	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]HH)2(CNO)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(H)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]HH)2(CNO)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(H)2	C(C[3]C[3]2C)(N)	118.0625	0.841	2	118.0625	0.707	2	116.6856	2.765	8	116.6856	2.765	8	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(CN)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]O)(CN){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C(C[3]C[3]2C)(N)	113.7630	0.000	1	113.7630	0.000	1	116.6856	2.765	8	116.6856	2.765	8	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(CN)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CNO)(CN){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C(C[3]C[3]2C)(N)	117.4610	0.000	1	117.4610	0.000	1	116.6856	2.765	8	116.6856	2.765	8	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(CN)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(CN){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C(C[3]C[3]2C)(N)	114.5340	0.000	1	114.5340	0.000	1	116.6856	2.765	8	116.6856	2.765	8	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)(CN)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(COO)(CN){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C(C[3]C[3]2C)(N)	116.7660	0.000	1	116.7660	0.000	1	116.6856	2.765	8	116.6856	2.765	8	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCO)(CC)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2	C(C[3]C[3]2C)(CC[6a])	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCO)(CC){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(H)2{2|C<3>}	C(C[3]C[3]2C)(CC[6a])	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	118.9020	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:3:1:	4:1:	C[3]-4:C[3,6]-4:C-3:C-2:	C[3,6]-4:C[3]-4:C[6a]-3:H-1:	C[3]-4:N-1:	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(CN)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H)	C(C[3]C[3,6]C[3]C)(N)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(COO)(CN){2|C<3>,2|N<3>,2|O<1>}	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)(C[6a]C[6a]2)(H){2|C<3>,2|H<1>,2|N<3>,2|O<1>}	C(C[3]C[3,6]C[3]C)(N)	120.7950	0.000	1	120.7950	0.000	1	120.7950	0.000	1	120.2740	0.543	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:3:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)(CN)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6a]O)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(COO)(CN){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6a]O)(H){2|C<3>}	C(C[3]C[3]2C)(N)	119.7530	0.000	1	119.7530	0.000	1	119.7530	0.000	1	120.2740	0.543	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:3:2:	4:1:	C[3,5]-4:C[3]-4:C-3:C-2:	C[3,5]-4:C[3]-4:C-3:C-2:	C[3]-4:N-1:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(COO)(CN)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(COO)(CN)	C(C[3]C[3,5]C[3]C)(N)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(COO)(CN){2|C<3>,2|O<1>}	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)(COO)(CN){2|C<3>,2|O<1>}	C(C[3]C[3,5]C[3]C)(N)	119.7362	0.852	4	119.7362	0.726	4	119.7362	0.726	4	119.7362	0.726	4	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:3:3:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C[3]-4:C-3:C-3:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(CN)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCO)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(COO)(CN){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCO)2{2|C<3>}	C(C[3]C[3]2C)(N)	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	118.8790	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:4:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[3]-4:C[3]-4:S-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(COO)(CN)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SCOO)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HS)(COO)(CN){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SCOO)(H){2|C<3>}	C(C[3]C[3]2C)(N)	114.1370	0.000	1	114.1370	0.000	1	114.1370	0.000	1	116.8623	5.602	3	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:3:2:	4:4:4:1:	4:1:	C[3]-4:C[3]-4:C-3:C-2:	C[5]-4:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(COO)(CN)	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)(C[3]C[3]HH)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(COO)(CN){1|C<4>,1|H<1>,1|O<2>}	C[3](C[5]C[5]O[5]H)(C[3]C[3]CC)(C[3]C[3]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[3]C[3]2C)(N)	118.2250	0.252	2	118.2250	0.063	2	118.2250	0.063	2	116.8623	5.602	3	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	3:4:4:1:	4:1:	C[3]-4:C[3]-4:S-4:C-2:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN)	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H)	C(C[3]C[3]2S)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]CS)(H){2|C<3>,2|H<1>}	C(C[3]C[3]2S)(N)	120.7400	0.000	1	120.7400	0.000	1	120.7400	0.000	1	120.7400	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:C-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]BrS)(C[3]C[3]HH)(CH3)(CN)	C[3](C[3]C[3]BrS)(C[3]C[3]CC)(H)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]BrS)(C[3]C[3]HH)(CH3)(CN)	C[3](C[3]C[3]BrS)(C[3]C[3]CC)(H)2	C(C[3]C[3]2C)(N)	116.6240	0.000	1	116.6240	0.000	1	115.9370	0.944	2	118.3030	4.210	6	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:C-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]CH)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(H)2	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]CH)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(H)2	C(C[3]C[3]2C)(N)	115.2500	0.000	1	115.2500	0.000	1	115.9370	0.944	2	118.3030	4.210	6	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:S-4:C-2:	C[3]-4:C[3]-4:F-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]FH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(F)(H)	C(C[3]C[3]2S)(N)	C[3](C[3]C[3]FH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(F)(H)	C(C[3]C[3]2S)(N)	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	118.3030	4.210	6	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:S-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CH)(C[3]C[3]CS)(H)2	C(C[3]C[3]2S)(N)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CH)(C[3]C[3]CS)(H)2	C(C[3]C[3]2S)(N)	120.0290	0.000	2	120.0290	0.000	2	120.0113	0.001	3	118.3030	4.210	6	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:1:1:	4:1:	C[3]-4:C[3]-4:S-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]FH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]FH)(H)2	C(C[3]C[3]2S)(N)	C[3](C[3]C[3]FH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]FH)(H)2	C(C[3]C[3]2S)(N)	119.9760	0.000	1	119.9760	0.000	1	120.0113	0.001	3	118.3030	4.210	6	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:1:1:	4:2:	C[3]-4:C[3]-4:C-4:C-2:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CF3)(CC)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(H)2	C(C[3]C[3]2C)(CC)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CF3)(CC)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(H)2	C(C[3]C[3]2C)(CC)	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:2:1:	4:1:	C[3]-4:C[3]-4:C-4:C-2:	C[3]-4:C[3]-4:S-2:Br-1:	C[3]-4:N-1:	C[3](C[3]C[3]BrS)(C[3]C[3]HH)(CH3)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(SC[6a])(Br)	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]BrS)(C[3]C[3]HH)(CH3)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(SC[6a])(Br)	C(C[3]C[3]2C)(N)	115.3620	0.000	1	115.3620	0.000	1	115.3620	0.000	1	115.3620	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:3:1:	4:1:	C[3]-4:C[3]-4:C-4:C-2:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]CH)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]CH)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(COO)(H)	C(C[3]C[3]2C)(N)	113.0600	0.000	1	113.0600	0.000	1	114.3540	3.349	2	114.3540	3.349	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:3:1:	4:1:	C[3]-4:C[3]-4:C-4:C-2:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]CH)2(CC[6a]CH)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(COO)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]CH)2(CC[6a]CH)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(COO)(H)	C(C[3]C[3]2C)(N)	115.6480	0.000	1	115.6480	0.000	1	114.3540	3.349	2	114.3540	3.349	2	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:3:1:	4:2:	C[3]-4:C[3]-4:C-4:C-2:	C[3]-4:C[3]-4:C-3:H-1:	C[3]-4:C-2:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CF3)(CC)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]O)(H)	C(C[3]C[3]2C)(CC)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CF3)(CC)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]O)(H)	C(C[3]C[3]2C)(CC)	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	120.1320	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:3:3:	4:1:	C[3]-4:C[3]-4:S-4:C-2:	C[3]-4:C[3]-4:C-3:C-3:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)(COO)2	C(C[3]C[3]2S)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)(COO)2{2|C<3>}	C(C[3]C[3]2S)(N)	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:4:1:	4:1:	C[3]-4:C[3]-4:C-4:C-2:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]CH)2(CC[6a]CH)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CH3)(H)	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]CH)2(CC[6a]CH)(CN)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CH3)(H)	C(C[3]C[3]2C)(N)	114.6850	0.000	1	114.6850	0.000	1	114.6850	0.000	1	118.8857	13.234	3	118.5634	3.327	209	118.6604	4.723	260
486	486	983	0:SP3_SP1_SP3	C[3]	C[3]	C	4:4:4:2:	4:4:4:1:	4:1:	C[3]-4:C[3]-4:S-4:C-2:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(CF3)(H)	C(C[3]C[3]2S)(N)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CN)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(CF3)(H)	C(C[3]C[3]2S)(N)	120.9860	0.000	2	120.9860	0.000	2	120.9860	0.000	2	118.8857	13.234	3	118.5634	3.327	209	118.6604	4.723	260
486	486	992	0:SP3_SP3_SP3	C[3,5]	C[3,5]	P	4:4:3:4:	4:4:4:1:	4:3:3:1:	C[3,5]-4:C[3]-4:C[5]-3:P-4:	C[3,5]-4:C[3]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:C[6a]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(PC[6a]2O)	C[3,5](C[3,5]C[3]C[5]P)(C[3]C[3,5]CC)(C[5]C[5]HH)(H)	P(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)2(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(PC[6a]2O){4|H<1>}	C[3,5](C[3,5]C[3]C[5]P)(C[3]C[3,5]CC)(C[5]C[5]HH)(H){1|O<1>,2|H<1>}	P(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)2(O)	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3,5]	C[3]	P	4:4:3:4:	4:4:4:4:	4:3:3:1:	C[3,5]-4:C[3]-4:C[5]-3:P-4:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3,5]-4:C[6a]-3:C[6a]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(PC[6a]2O)	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]P)(CH3)2	P(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)2(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CC)(C[5]C[5]O)(PC[6a]2O){4|H<1>}	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]P)(CH3)2{1|C<4>,1|O<1>,2|H<1>}	P(C[3,5]C[3,5]C[3]C[5])(C[6a]C[6a]2)2(O)	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3,6]	P	4:4:4:1:	4:4:3:1:	4:4:4:4:	C[3,6]-4:C[3,6]-4:P-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:H-1:	C[3]-4:C-4:C-4:C-4:	C[3](C[3,6]C[3,6]C[6]H)2(PC3)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H)	P(C[3]C[3,6]2H)(CC3)3	C[3](C[3,6]C[3,6]C[6]H)2(PC3)(H){2|C<3>,2|H<1>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	P(C[3]C[3,6]2H)(CC3)3	127.5770	1.738	2	127.5770	3.021	2	127.5770	3.021	2	127.5770	3.021	2	127.5770	3.021	2	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	3:4:4:4:	4:4:1:1:	4:3:3:2:	C[6a]-3:C[3]-4:C[3]-4:P-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:N-2:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2N)	C[3](C[3]C[6a]C[3]P)(C[3]C[3]HH)(H)2	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(NP)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2N){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]P)(C[3]C[3]HH)(H)2{2|C<3>}	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(NP)	114.5865	0.599	2	114.5865	0.359	2	114.5865	0.359	2	114.5865	0.359	2	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	3:4:4:4:	4:4:1:1:	4:3:3:4:	C[6a]-3:C[3]-4:C[3]-4:P-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:B-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2B)	C[3](C[3]C[6a]C[3]P)(C[3]C[3]HH)(H)2	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(BH3)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)2(PC[6a]2B){2|C<3>,2|H<1>}	C[3](C[3]C[6a]C[3]P)(C[3]C[3]HH)(H)2{2|C<3>}	P(C[3]C[6a]C[3]2)(C[6a]C[6a]2)2(BH3)	115.8420	1.212	2	115.8420	1.469	2	115.8420	1.469	2	115.8420	1.469	2	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:1:	3:4:4:1:	3:3:4:4:	C[3]-4:C[3]-4:P-4:H-1:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:B-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6a]2B)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H)	P(C[6a]C[6a]2)2(C[3]C[3]2H)(BH3)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6a]2B)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H){2|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[3]C[3]2H)(BH3)	119.4740	0.000	1	119.4740	0.000	1	119.4740	0.000	1	119.4740	0.000	1	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:1:	3:4:4:1:	4:4:4:1:	C[3]-4:C[3]-4:P-4:H-1:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:C[6]-4:C[6]-4:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6]2O)(H)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H)	P(C[3]C[3]2H)(C[6]C[6]2H)2(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6]2O)(H){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HP)(H){2|C<3>,2|H<1>}	P(C[3]C[3]2H)(C[6]C[6]2H)2(O)	119.7735	0.202	2	119.7735	0.041	2	119.7735	0.041	2	119.7735	0.041	2	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:1:	4:4:1:1:	3:3:4:4:	C[3]-4:C[3]-4:P-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:B-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6a]2B)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HP)(H)2	P(C[6a]C[6a]2)2(C[3]C[3]2H)(BH3)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6a]2B)(H){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HP)(H)2{2|C<3>}	P(C[6a]C[6a]2)2(C[3]C[3]2H)(BH3)	119.0910	0.000	1	119.0910	0.000	1	119.0910	0.000	1	119.0910	0.000	1	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:1:	4:4:1:1:	3:4:4:1:	C[3]-4:C[3]-4:P-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:C-4:S-1:	C[3](C[3]C[3]HH)2(PC[6a]CS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HP)(H)2	P(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(S)	C[3](C[3]C[3]HH)2(PC[6a]CS)(H)	C[3](C[3]C[3]HH)(C[3]C[3]HP)(H)2	P(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(S)	120.3585	0.439	2	120.3585	0.193	2	120.3585	0.193	2	120.3585	0.193	2	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:1:	4:4:1:1:	4:3:3:1:	B[3]-4:C[3]-4:P-4:H-1:	B[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:H-1:	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H)	C[3](B[3]C[6a]2C[3])(C[3]B[3]HP)(H)2	P(C[3]B[3]C[3]H)(C[6a]C[6a]2)2(H)	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H){4|C<3>}	C[3](B[3]C[6a]2C[3])(C[3]B[3]HP)(H)2{4|C<3>}	P(C[3]B[3]C[3]H)(C[6a]C[6a]2)2(H)	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	121.9030	0.000	1	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:1:	4:4:1:1:	4:4:4:1:	C[3]-4:C[3]-4:P-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6]2O)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HP)(H)2	P(C[3]C[3]2H)(C[6]C[6]2H)2(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6]2O)(H){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HP)(H)2{2|C<3>}	P(C[3]C[3]2H)(C[6]C[6]2H)2(O)	120.0970	0.229	2	120.0970	0.052	2	120.0970	0.052	2	120.0970	0.052	2	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:3:	3:4:4:1:	4:2:2:1:	C[3]-4:C[3]-4:P-4:C-3:	C[6a]-3:C[3]-4:C[3]-4:H-1:	C[3]-4:O-2:O-2:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PO3)(COO)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(H)	P(C[3]C[3]2C)(OC)2(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PO3)(COO){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(H){2|C<3>,2|H<1>}	P(C[3]C[3]2C)(OC)2(O)	117.9790	0.000	1	117.9790	0.000	1	117.9790	0.000	1	117.9790	0.000	1	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:3:	3:4:4:4:	3:3:4:1:	C[3]-4:C[3]-4:P-4:C-3:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:O-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PC[6a]2O)(CCH)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3)	P(C[6a]C[6a]2)2(C[3]C[3]2C)(O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PC[6a]2O)(CCH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	P(C[6a]C[6a]2)2(C[3]C[3]2C)(O)	117.2990	0.990	2	117.2990	0.980	2	117.2990	0.980	2	117.2990	0.980	2	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:3:	3:4:4:4:	4:2:2:1:	C[3]-4:C[3]-4:P-4:N-3:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:O-2:O-2:O-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3)	P(C[3]C[3]2N)(OC)2(O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH){2|C<3>}	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3){2|C<3>,2|H<1>}	P(C[3]C[3]2N)(OC)2(O)	120.3268	0.353	4	120.3268	0.125	4	120.3268	0.125	4	120.3268	0.125	4	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:3:	4:4:1:1:	3:3:4:1:	C[3]-4:C[3]-4:P-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:O-1:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(PC[6a]2O)(CCH)	C[3](C[3]C[3]CC)(C[3]C[3]CP)(H)2	P(C[6a]C[6a]2)2(C[3]C[3]2C)(O)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(PC[6a]2O)(CCH)	C[3](C[3]C[3]CC)(C[3]C[3]CP)(H)2	P(C[6a]C[6a]2)2(C[3]C[3]2C)(O)	114.7480	0.000	1	114.7480	0.000	1	114.0087	0.459	3	114.0087	0.459	3	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:3:	4:4:1:1:	3:3:4:1:	C[3]-4:C[3]-4:P-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:O-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PC[6a]2O)(CCH)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CP)(H)2	P(C[6a]C[6a]2)2(C[3]C[3]2C)(O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PC[6a]2O)(CCH){2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CP)(H)2{2|C<3>}	P(C[6a]C[6a]2)2(C[3]C[3]2C)(O)	113.6390	0.313	2	113.6390	0.098	2	114.0087	0.459	3	114.0087	0.459	3	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:3:	4:4:1:1:	4:2:2:1:	C[3]-4:C[3]-4:P-4:C-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:O-2:O-2:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PO3)(COO)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CP)(H)2	P(C[3]C[3]2C)(OC)2(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PO3)(COO){2|C<3>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CP)(H)2{2|C<3>}	P(C[3]C[3]2C)(OC)2(O)	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	117.8576	3.217	5	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:3:	4:4:1:1:	4:2:2:1:	C[3]-4:C[3]-4:P-4:N-3:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:O-2:O-2:O-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]NP)(H)2	P(C[3]C[3]2N)(OC)2(O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH){2|C<3>}	C[3](C[3]C[6a]C[3]C)(C[3]C[3]NP)(H)2{2|C<3>}	P(C[3]C[3]2N)(OC)2(O)	117.3053	1.502	4	117.3053	2.256	4	117.3053	2.256	4	117.8576	3.217	5	118.1690	6.002	29	118.9428	10.975	33
486	486	992	0:SP3_SP3_SP3	C[3]	C[3]	P	4:4:4:3:	4:4:4:4:	3:3:4:1:	C[3]-4:C[3]-4:P-4:C-3:	C[3]-4:C[3]-4:C-4:C-4:	C[6a]-3:C[6a]-3:C[3]-4:O-1:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(PC[6a]2O)(CCH)	C[3](C[3]C[3]CP)(C[3]C[3]HH)(CC[6a]HH)2	P(C[6a]C[6a]2)2(C[3]C[3]2C)(O)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(PC[6a]2O)(CCH)	C[3](C[3]C[3]CP)(C[3]C[3]HH)(CC[6a]HH)2	P(C[6a]C[6a]2)2(C[3]C[3]2C)(O)	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	119.9190	0.000	1	118.1690	6.002	29	118.9428	10.975	33
486	486	996	0:SP3_SP3_SP3	C[3,3,4,5]	C[3,3,5]	Si[4]	10:4:4:4:	10:4:4:1:	4:3:4:4:	Nb[5x3,4,6]-10:C[3,3,5]-4:C[3,3,5]-4:Si[4]-4:	Nb[5x3,4,6]-10:C[3,3,4,5]-4:C[3,3,5]-4:H-1:	C[3,3,4,5]-4:N[4,6]-3:C-4:C-4:	C[3,3,4,5](Nb[5x3,4,6]C[3,3,5]4N[4,6]N[6]Cl3)(C[3,3,5]Nb[5x3,4,6]C[3,3,5]H)2(Si[4]N[4,6]CC)	C[3,3,5](Nb[5x3,4,6]C[3,3,4,5]C[3,3,5]3N[4,6]N[6]Cl3)(C[3,3,4,5]Nb[5x3,4,6]C[3,3,5]Si[4])(C[3,3,5]Nb[5x3,4,6]C[3,3,5]H)(H)	Si[4](C[3,3,4,5]Nb[5x3,4,6]C[3,3,5]2)(N[4,6]Nb[5x3,4,6]C[6])(CH3)2	C[3,3,4,5](Nb[5x3,4,6]C[3,3,5]4N[4,6]N[6]Cl3)(C[3,3,5]Nb[5x3,4,6]C[3,3,5]H)2(Si[4]N[4,6]CC){2|C<4>,4|H<1>}	C[3,3,5](Nb[5x3,4,6]C[3,3,4,5]C[3,3,5]3N[4,6]N[6]Cl3)(C[3,3,4,5]Nb[5x3,4,6]C[3,3,5]Si[4])(C[3,3,5]Nb[5x3,4,6]C[3,3,5]H)(H){4|C<4>,4|H<1>}	Si[4](C[3,3,4,5]Nb[5x3,4,6]C[3,3,5]2)(N[4,6]Nb[5x3,4,6]C[6])(CH3)2{3|Cl<1>,1|N<4>,3|C<4>,4|H<1>}	122.2285	1.213	2	122.2285	1.471	2	122.2285	1.471	2	122.2285	1.471	2	124.1688	2.170	14	124.1688	2.170	14
486	486	996	0:SP3_SP3_SP3	C[3,3,4,5]	C[3,3,5]	Si[4]	12:4:4:4:	12:4:4:1:	4:4:4:4:	Nb[10x3,4]-12:C[3,3,5]-4:C[3,3,5]-4:Si[4]-4:	Nb[10x3,4]-12:C[3,3,4,5]-4:C[3,3,5]-4:H-1:	C[3,3,4,5]-4:C[3,3,4,5]-4:C-4:C-4:	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]H)2(Si[4]C[3,3,4,5]CC)	C[3,3,5](Nb[10x3,4]C[3,3,4,5]2C[3,3,5]7ClN)(C[3,3,4,5]Nb[10x3,4]C[3,3,5]Si[4])(C[3,3,5]Nb[10x3,4]C[3,3,5]C)(H)	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]H)2(Si[4]C[3,3,4,5]CC){1|H<1>,5|C<4>}	C[3,3,5](Nb[10x3,4]C[3,3,4,5]2C[3,3,5]7ClN)(C[3,3,4,5]Nb[10x3,4]C[3,3,5]Si[4])(C[3,3,5]Nb[10x3,4]C[3,3,5]C)(H){2|H<1>,6|C<4>}	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2{1|Cl<1>,1|N<2>,2|H<1>,6|C<4>}	125.9413	0.465	3	125.9413	0.216	3	124.8682	1.505	6	124.8682	1.505	6	124.1688	2.170	14	124.1688	2.170	14
486	486	996	0:SP3_SP3_SP3	C[3,3,4,5]	C[3,3,5]	Si[4]	12:4:4:4:	12:4:4:1:	4:4:4:4:	Nb[10x3,4]-12:C[3,3,5]-4:C[3,3,5]-4:Si[4]-4:	Nb[10x3,4]-12:C[3,3,4,5]-4:C[3,3,5]-4:H-1:	C[3,3,4,5]-4:C[3,3,4,5]-4:C-4:C-4:	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]H)2(Si[4]C[3,3,4,5]CC)	C[3,3,5](Nb[10x3,4]C[3,3,4,5]2C[3,3,5]7ClN)(C[3,3,4,5]Nb[10x3,4]C[3,3,5]Si[4])(C[3,3,5]Nb[10x3,4]C[3,3,5]H)(H)	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]H)2(Si[4]C[3,3,4,5]CC){1|H<1>,5|C<4>}	C[3,3,5](Nb[10x3,4]C[3,3,4,5]2C[3,3,5]7ClN)(C[3,3,4,5]Nb[10x3,4]C[3,3,5]Si[4])(C[3,3,5]Nb[10x3,4]C[3,3,5]H)(H){1|H<1>,7|C<4>}	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2{1|Cl<1>,1|N<2>,2|H<1>,6|C<4>}	123.7950	0.303	3	123.7950	0.092	3	124.8682	1.505	6	124.8682	1.505	6	124.1688	2.170	14	124.1688	2.170	14
486	486	996	0:SP3_SP3_SP3	C[3,3,4,5]	C[3,3,5]	Si[4]	12:4:4:4:	12:4:4:4:	4:4:4:4:	Nb[10x3,4]-12:C[3,3,5]-4:C[3,3,5]-4:Si[4]-4:	Nb[10x3,4]-12:C[3,3,4,5]-4:C[3,3,5]-4:C-4:	C[3,3,4,5]-4:C[3,3,4,5]-4:C-4:C-4:	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]C)2(Si[4]C[3,3,4,5]CC)	C[3,3,5](Nb[10x3,4]C[3,3,4,5]2C[3,3,5]7ClN)(C[3,3,4,5]Nb[10x3,4]C[3,3,5]Si[4])(C[3,3,5]Nb[10x3,4]C[3,3,5]C)(CH3)	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2	C[3,3,4,5](Nb[10x3,4]C[3,3,4,5]C[3,3,5]8ClN)(C[3,3,5]Nb[10x3,4]C[3,3,5]C)2(Si[4]C[3,3,4,5]CC){3|C<4>,3|H<1>}	C[3,3,5](Nb[10x3,4]C[3,3,4,5]2C[3,3,5]7ClN)(C[3,3,4,5]Nb[10x3,4]C[3,3,5]Si[4])(C[3,3,5]Nb[10x3,4]C[3,3,5]C)(CH3){3|H<1>,5|C<4>}	Si[4](C[3,3,4,5]Nb[10x3,4]C[3,3,5]2)2(CH3)2{1|Cl<1>,1|N<2>,2|H<1>,6|C<4>}	124.1162	1.322	6	124.1162	1.747	6	124.1162	1.747	6	124.1162	1.747	6	124.1688	2.170	14	124.1688	2.170	14
486	486	999	0:SP3_SP3_SP3	C[3,5]	C[3]	N[5]	4:4:4:4:	4:4:4:1:	4:4:4:1:	C[3,5]-4:C[3]-4:N[5]-4:C-4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]N[5]C)(CH3)(H)	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3){1|C<3>,3|H<1>}	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]N[5]C)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1	117.9100	0.000	1
486	486	999	5:SP3_SP3_SP3	C[3,5]	C[3,5]	N[5]	4:4:4:4:	4:4:4:4:	4:4:4:1:	C[3,5]-4:C[3]-4:N[5]-4:C-4:	C[3,5]-4:C[5]-4:C[3]-4:C-4:	C[3,5]-4:C[5]-4:C-4:H-1:	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3)	C[3,5](C[3,5]C[3]N[5]C)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(CH3)	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]C[5]C)(C[3]C[3,5]CH)(N[5]C[5]CH)(CH3){1|C<3>,3|H<1>}	C[3,5](C[3,5]C[3]N[5]C)(C[5]C[6a]C[5]H)(C[3]C[3,5]CH)(CH3){1|C<4>,2|C<3>,3|H<1>}	N[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]HH)(H){1|C<3>,2|C<4>,2|H<1>}	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1	107.4080	0.000	1
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	3:2:4:4:	4:4:4:4:	4:1:1:1:	N[3]-3:O[3]-2:C-4:C-4:	C[3]-4:C-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	C(C[3]N[3]O[3]C)(CH3)3	C(C[3]N[3]O[3]C)(H)3	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	C(C[3]N[3]O[3]C)(CH3)3	C(C[3]N[3]O[3]C)(H)3	117.9140	0.000	1	117.9140	0.000	1	117.9140	0.000	1	117.9140	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	C[3]-3:C[3]-3:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[6a]C[3])(C[3]C[3]C)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[6a]C[3])(C[3]C[3]C)(CH3)2{2|C<3>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	114.8940	0.000	1	114.8940	0.000	1	114.8940	0.000	1	114.8940	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	C[3]-3:C[3]-3:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]C[3]C[5])2(CCHH)2	C(C[3]C[3]2C)(CH3)(H)2	C(C[3]C[3]2C)(CH3)(H)2	C[3](C[3]C[3]C[5])2(CCHH)2{2|Fe<10>,4|C<4>}	C(C[3]C[3]2C)(CH3)(H)2	C(C[3]C[3]2C)(CH3)(H)2	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	3:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-3:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]C[6])(C[3]C[3]CC)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]C[6])(C[3]C[3]CC)(CH3)2{2|C<4>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	112.4855	0.008	2	112.4855	0.000	2	112.4855	0.000	2	112.4855	0.000	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	3:4:4:4:	4:4:2:1:	4:1:1:1:	N[3]-3:C[3]-4:C-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(CH3)	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	C(C[3]C[3]N[3]C)(H)3	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(CH3){2|C<3>}	C(C[3]C[3]N[3]C)(CH3)(OH)(H)	C(C[3]C[3]N[3]C)(H)3	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2	C(C[3]C[3,6]O[3]C)(H)3	C(C[3]C[3,6]O[3]C)(H)3	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[3]C[3,6]O[3]C)(H)3	C(C[3]C[3,6]O[3]C)(H)3	113.8730	0.000	1	113.8730	0.000	1	113.0983	0.499	3	114.5171	1.127	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	C(C[3]C[3,6]O[3]C)(H)3	C(C[3]C[3,6]O[3]C)(H)3	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[3]C[3,6]O[3]C)(H)3	C(C[3]C[3,6]O[3]C)(H)3	112.4900	0.000	1	112.7110	0.098	2	113.0983	0.499	3	114.5171	1.127	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	C(C[3]C[3,6]O[3]C)(H)3	C(C[3]C[3,6]O[3]C)(H)3	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{2|C<4>,4|H<1>}	C(C[3]C[3,6]O[3]C)(H)3	C(C[3]C[3,6]O[3]C)(H)3	112.9320	0.000	1	112.7110	0.098	2	113.0983	0.499	3	114.5171	1.127	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CH3)2{1|C<4>,2|O<2>}	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(H)3	114.0870	0.000	1	114.0870	0.000	1	114.9900	0.418	9	114.5171	1.127	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2{1|H<1>,2|C<4>}	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(H)3	115.0480	0.000	1	115.0480	0.000	1	114.9900	0.418	9	114.5171	1.127	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2{2|C<3>}	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(H)3	114.6370	0.000	1	114.6370	0.000	1	114.9900	0.418	9	114.5171	1.127	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(H)3	113.9020	0.000	1	113.9020	0.000	1	114.9900	0.418	9	114.5171	1.127	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(H)3	115.4472	0.207	5	115.4472	0.043	5	114.9900	0.418	9	114.5171	1.127	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:2:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3)	C(C[3]C[3]O[3]C)(OH)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[3]C[3]O[3]C)(OH)(H)2	C(C[3]C[3]O[3]C)(H)3	117.0570	0.000	1	117.0570	0.000	1	117.0570	0.000	1	117.0570	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	C(C[3]C[3,5]O[3]C)(H)3	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	C(C[3]C[3,5]O[3]C)(H)3	111.3394	0.460	5	112.1120	1.177	9	112.1120	1.177	9	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	C(C[3]C[3,5]O[3]C)(H)3	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	C(C[3]C[3,5]O[3]C)(H)3	113.2360	0.883	3	112.1120	1.177	9	112.1120	1.177	9	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	C(C[3]C[3,5]O[3]C)(H)3	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	C(C[3]C[3,5]O[3]C)(H)3	112.6030	0.000	1	112.1120	1.177	9	112.1120	1.177	9	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	C(C[3]C[3,6]O[3]C)(H)3	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	C(C[3]C[3,6]O[3]C)(H)3	113.5170	1.882	4	113.5170	3.540	4	113.5170	3.540	4	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(H)3	116.3069	0.457	28	116.3069	0.209	28	116.1201	0.688	84	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(H)3	116.8385	0.399	11	116.8385	0.159	11	116.1201	0.688	84	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(H)3	115.5013	0.973	20	115.5013	0.947	20	116.1201	0.688	84	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(C[3]C[3]O[3]C)(H)3	115.5970	0.000	1	115.5970	0.000	1	116.1201	0.688	84	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	C(C[3]C[3]O[3]C)(H)3	115.7602	0.624	16	115.7602	0.389	16	116.1201	0.688	84	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[4]HH)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[4]HH)(H)2	C(C[3]C[3]O[3]C)(H)3	116.9620	0.000	1	116.9620	0.000	1	116.1201	0.688	84	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(H)2	C(C[3]C[3]O[3]C)(H)3	117.1113	1.200	3	117.1113	1.441	3	116.1201	0.688	84	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	C(C[3]C[3]O[3]C)(H)3	116.4435	0.049	2	116.4435	0.002	2	116.1201	0.688	84	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[6]HH)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[6]HH)(H)2	C(C[3]C[3]O[3]C)(H)3	116.6525	1.436	2	116.6525	2.062	2	116.1201	0.688	84	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	C(C[3]C[3]O[3]C)(H)3	115.5220	0.000	1	115.5220	0.000	1	115.9417	3.083	6	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C(C[3]C[3]O[3]C)2(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C(C[3]C[3]O[3]C)2(H)2	C(C[3]C[3]O[3]C)(H)3	116.0256	1.949	5	116.0256	3.801	5	115.9417	3.083	6	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C(C[3]C[3]O[3]C)(H)3	116.4110	0.000	1	116.4110	0.000	1	116.0164	1.305	5	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C(C[3]C[3]O[3]C)(H)3	114.5510	0.000	1	114.5510	0.000	1	116.0164	1.305	5	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<3>,1|O<2>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C(C[3]C[3]O[3]C)(H)3	117.6470	0.000	1	117.6470	0.000	1	116.0164	1.305	5	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	C(C[3]C[3]O[3]C)(H)3	115.7365	0.316	2	115.7365	0.100	2	116.0164	1.305	5	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[5]-4:C[3]-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<3>,1|O<2>}	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	C(C[3]C[3]O[3]C)(H)3	117.0915	0.104	2	117.0915	0.011	2	117.1590	0.019	3	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[5]-4:C[3]-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	C(C[3]C[3]O[3]C)(H)3	117.2940	0.000	1	117.2940	0.000	1	117.1590	0.019	3	115.7151	2.316	111	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:2:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:O-2:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(OC)(H)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(OC)(H)2	116.9270	0.000	1	116.9270	0.000	1	116.8920	0.002	2	116.8920	0.002	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:2:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:O-2:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(OSi)(H)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(OSi)(H)2	116.8570	0.000	1	116.8570	0.000	1	116.8920	0.002	2	116.8920	0.002	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)2(H)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)2(H)2	113.0032	0.757	5	113.0032	0.574	5	113.0032	0.574	5	113.9868	1.398	10	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	C(C[3]C[3]O[3]C)(CCHH)(H)2	114.9704	0.391	5	114.9704	0.153	5	114.9704	0.153	5	113.9868	1.398	10	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CH3)2(H)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH){1|O<2>,2|C<4>}	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(CH3)2(H)	117.4220	0.303	2	117.4220	0.092	2	117.4220	0.092	2	116.8227	1.123	3	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:1:1:	4:4:4:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[6]-4:H-1:H-1:	C[3]-4:C-4:C-4:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	115.6240	0.000	1	115.6240	0.000	1	115.6240	0.000	1	116.8227	1.123	3	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	C(C[3]C[3]O[3]C)(H)3	116.2260	0.000	1	116.2260	0.000	1	112.9525	2.241	11	113.1011	2.303	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	C(C[3]C[3]O[3]C)(H)3	112.0200	0.000	1	112.0200	0.000	1	112.9525	2.241	11	113.1011	2.303	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	C(C[3]C[3]O[3]C)(H)3	112.6923	1.130	9	112.6923	1.277	9	112.9525	2.241	11	113.1011	2.303	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:2:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[6]-4:O-2:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	C(C[3]C[3]O[3]C)(H)3	114.7360	0.000	1	114.7360	0.000	1	114.7360	0.000	1	113.1011	2.303	12	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:2:1:	4:4:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	C(C[3]C[3]O[3]C)(H)3	118.2215	0.697	2	118.2215	0.485	2	118.4655	0.879	6	118.4655	0.879	6	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	4:4:4:1:	4:1:1:1:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	C(C[3]C[3]O[3]C)(H)3	118.5875	1.115	4	118.5875	1.243	4	118.4655	0.879	6	118.4655	0.879	6	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:2:4:4:	5:4:1:1:	4:1:1:1:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-5:C[3]-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3)	C(C[3]C[3,3]C[3x3]HH)(C[3]C[3,6]O[3]C)(H)2	C(C[3]C[3,6]O[3]C)(H)3	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3){1|C<7>,2|C<4>,3|H<1>}	C(C[3]C[3,3]C[3x3]HH)(C[3]C[3,6]O[3]C)(H)2	C(C[3]C[3,6]O[3]C)(H)3	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	3:4:2:1:	4:1:1:1:	C[3]-4:C[3]-3:C-4:C-4:	C[6a]-3:C[3]-4:O-2:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OH)(H)	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OH)(H)	C(C[3]C[3]2C)(H)3	113.0700	0.000	1	113.0700	0.000	1	113.0700	0.000	1	113.0700	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-3:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CC)(C[3]C[3]C)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CC)(C[3]C[3]C)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	112.9960	0.238	4	112.9960	0.056	4	112.9960	0.056	4	114.1475	0.905	14	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CH3)2{2|C<3>}	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	115.5640	0.000	1	115.5640	0.000	1	114.6081	0.464	10	114.1475	0.905	14	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	114.5309	0.665	8	114.5309	0.442	8	114.6081	0.464	10	114.1475	0.905	14	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]HH)(N[3]C[3]S)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	114.2700	0.000	1	114.2700	0.000	1	114.6081	0.464	10	114.1475	0.905	14	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	4:2:1:1:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C-2:H-1:O-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C(C[3]C[3]N[3]C)(CC)(H)(O)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C(C[3]C[3]N[3]C)(CC)(H)(O)	C(C[3]C[3]N[3]C)(H)3	115.2970	0.000	1	115.2970	0.000	1	115.2970	0.000	1	115.2970	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	4:2:2:1:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C-2:O-2:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C(C[3]C[3]N[3]C)(CC)(OH)(H)	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(CH3)	C(C[3]C[3]N[3]C)(CC)(OH)(H)	C(C[3]C[3]N[3]C)(H)3	114.9355	0.262	2	114.9355	0.069	2	114.9355	0.069	2	114.9355	0.069	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(CH3)	C(C[3]C[3]N[3]C)(CCHH)(H)2	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(CH3)	C(C[3]C[3]N[3]C)(CCHH)(H)2	C(C[3]C[3]N[3]C)(H)3	115.0395	0.002	2	115.0395	0.000	2	115.5383	1.168	8	115.5383	1.168	8	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	C(C[3]C[3]N[3]C)(CC[4]HH)(H)2	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	C(C[3]C[3]N[3]C)(CC[4]HH)(H)2	C(C[3]C[3]N[3]C)(H)3	115.5290	0.304	2	115.5290	0.092	2	115.5383	1.168	8	115.5383	1.168	8	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	C(C[3]C[3]N[3]C)(CH3)(H)2	C(C[3]C[3]N[3]C)(H)3	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(CH3)	C(C[3]C[3]N[3]C)(CH3)(H)2	C(C[3]C[3]N[3]C)(H)3	115.7922	1.563	4	115.7922	2.442	4	115.5383	1.168	8	115.5383	1.168	8	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:3:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:N[3]-3:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)2	C(C[3]C[3]N[3]C)(CH3)(H)2	C(C[3]C[3]N[3]C)(CH3)(H)2	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)2	C(C[3]C[3]N[3]C)(CH3)(H)2	C(C[3]C[3]N[3]C)(CH3)(H)2	116.3870	0.000	1	116.3870	0.000	1	116.3870	0.000	1	116.3870	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:2:4:	4:3:1:1:	4:1:1:1:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:C[6a]-3:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)2	C(C[3]C[3]O[3]C)(H)3	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)2	C(C[3]C[3]O[3]C)(H)3	117.5785	0.069	2	117.5785	0.005	2	117.5785	0.005	2	117.5785	0.005	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:2:4:	4:3:3:2:	4:4:1:1:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)2(OH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)2(OH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	115.0820	0.488	2	115.0820	0.238	2	115.0820	0.238	2	115.0820	0.238	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	3:4:1:1:	3:4:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[6a]-3:C[3]-4:H-1:H-1:	C[6a]-3:C[3]-4:H-1:H-1:	C[3](C[3]C[3]CP)(C[3]C[3]HH)(CC[6a]HH)2	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C[3](C[3]C[3]CP)(C[3]C[3]HH)(CC[6a]HH)2	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	3:4:1:1:	4:2:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:O-2:H-1:H-1:	C[3](C[3]C[3]CH)2(CC[6a]HH)(CHHO)	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(OC)(H)2	C[3](C[3]C[3]CH)2(CC[6a]HH)(CHHO)	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(OC)(H)2	115.7460	0.000	1	115.7460	0.000	1	115.7460	0.000	1	115.7460	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[5,6]H)(CH3)2	C(C[3]C[3,5,6]C[3,6]C)(H)3	C(C[3]C[3,5,6]C[3,6]C)(H)3	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[5,6]H)(CH3)2{1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C(C[3]C[3,5,6]C[3,6]C)(H)3	C(C[3]C[3,5,6]C[3,6]C)(H)3	112.7310	0.000	1	112.7310	0.000	1	113.0805	0.244	2	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)(CH3)2	C(C[3]C[3,5,6]C[3,6]C)(H)3	C(C[3]C[3,5,6]C[3,6]C)(H)3	C[3](C[3,5,6]C[5,6,6a]C[3,6]C[5])(C[3,6]C[3,5,6]C[6]H)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C(C[3]C[3,5,6]C[3,6]C)(H)3	C(C[3]C[3,5,6]C[3,6]C)(H)3	113.4300	0.000	1	113.4300	0.000	1	113.0805	0.244	2	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(CH3)2	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(CH3)2{1|C<3>,1|O<1>,2|C<4>}	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	112.6020	0.000	1	111.9115	0.954	2	112.7207	0.785	7	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(CH3)2	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	C[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]H)(CH3)2{1|O<1>,3|C<4>}	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	111.2210	0.000	1	111.9115	0.954	2	112.7207	0.785	7	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)2	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	113.7760	0.000	1	113.0290	1.116	2	112.7207	0.785	7	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)2	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)2{1|N<3>,4|H<1>}	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	112.2820	0.000	1	113.0290	1.116	2	112.7207	0.785	7	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]P)(CH3)2	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]P)(CH3)2{1|C<4>,1|O<1>,2|H<1>}	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	112.3650	0.000	1	112.3650	0.000	1	112.7207	0.785	7	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]S)(CH3)2	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	C[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]C[5]S)(CH3)2{1|C<4>,1|O<1>,2|H<1>}	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	113.1870	0.000	1	113.1870	0.000	1	112.7207	0.785	7	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[3,5]C[5]H)2(CH3)2	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	C[3](C[3,5]C[3,5]C[5]H)2(CH3)2{1|C<4>,1|N<3>,3|H<1>}	C(C[3]C[3,5]2C)(H)3	C(C[3]C[3,5]2C)(H)3	113.6120	0.000	1	113.6120	0.000	1	112.7207	0.785	7	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[5,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{3|C<4>,3|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	113.6350	0.000	1	113.6350	0.000	1	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	113.2160	0.000	1	112.9660	0.047	3	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{1|S<2>,2|C<4>,3|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	112.8450	0.000	1	112.9660	0.047	3	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]H)(CH3)2{3|C<4>,3|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	112.8370	0.000	1	112.9660	0.047	3	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	111.9170	0.144	2	112.7025	1.596	4	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]O)(CH3)2{1|C<3>,2|C<4>,3|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	113.4880	1.516	2	112.7025	1.596	4	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|C<3>,1|C<4>,4|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	113.1366	0.488	9	113.1854	0.315	21	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|C<4>,2|C<3>,3|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	113.1240	0.000	1	113.1854	0.315	21	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{1|O<1>,2|C<4>,2|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	112.1270	0.000	1	113.1854	0.315	21	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{2|C<3>,4|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	113.4635	0.141	2	113.1854	0.315	21	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{2|C<4>,4|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	113.5316	0.586	5	113.1854	0.315	21	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6]H)2(CH3)2{3|C<4>,3|H<1>}	C(C[3]C[3,6]2C)(H)3	C(C[3]C[3,6]2C)(H)3	112.9430	0.680	3	113.1854	0.315	21	113.1116	0.439	29	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:Cl-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(CClHH)(CH3)	C(C[3]C[3,6]C[3]C)(Cl)(H)2	C(C[3]C[3,6]C[3]C)(H)3	C[3](C[3,6]C[6,6a]C[3]C[6])(C[3]C[3,6]HH)(CClHH)(CH3){1|C<4>,1|O<1>,2|C<3>}	C(C[3]C[3,6]C[3]C)(Cl)(H)2	C(C[3]C[3,6]C[3]C)(H)3	114.1230	0.000	1	114.1230	0.000	1	114.1230	0.000	1	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]BrH)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]BrH)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	113.6470	0.000	1	113.6470	0.000	1	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	111.8597	0.131	4	111.8597	0.017	4	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CC)(C[3]C[3]HP)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CC)(C[3]C[3]HP)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	111.9835	0.059	2	111.9835	0.003	2	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CC)2(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CC)2(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	115.1540	0.000	1	115.1540	0.000	1	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	113.9650	0.792	3	113.9650	0.627	3	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]HI)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CH)(C[3]C[3]HI)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	113.8320	0.000	1	113.8320	0.000	1	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CH)2(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CH)2(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	113.6472	0.873	68	113.6472	0.761	68	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]C[5]H)(C[3]C[3]CC)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]C[5]H)(C[3]C[3]CC)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	113.3950	0.000	1	113.3950	0.000	1	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]C[5]H)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]C[5]H)(C[3]C[3]CH)(CH3)2{1|H<1>,2|C<4>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	113.2015	0.791	8	113.2015	0.625	8	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	112.8710	0.000	1	112.9608	1.945	12	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2{1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	112.5140	0.000	1	112.9608	1.945	12	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2{1|H<1>,2|C<4>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	112.9301	1.602	9	112.9608	1.945	12	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]C[6]H)(C[3]C[3]CH)(CH3)2{1|H<1>,2|S<2>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	113.7740	0.000	1	112.9608	1.945	12	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]ClH)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]ClH)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	113.5530	0.000	1	113.5530	0.000	1	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]PdC)(C[3]C[3]2C)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]PdC)(C[3]C[3]2C)(CH3)2{1|C<3>,2|C<4>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	110.3882	0.877	4	110.3882	0.768	4	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CH3)2{2|C<3>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	111.2670	0.703	3	111.2670	0.494	3	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CH3)2	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CH3)2{2|C<3>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(H)3	113.7526	0.680	5	113.7526	0.462	5	113.2996	1.391	114	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](N[3]C[3]CuC)(C[3]N[3]HH)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	C[3](N[3]C[3]CuC)(C[3]N[3]HH)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	114.0170	0.758	5	114.0170	0.575	5	114.8776	1.270	10	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](N[3]C[3]CuH)(C[3]N[3]HH)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	C[3](N[3]C[3]CuH)(C[3]N[3]HH)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	116.3660	0.000	1	116.3660	0.000	1	114.8776	1.270	10	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:1:1:1:	4:1:1:1:	N[3]-4:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](N[3]C[3]PdH)(C[3]N[3]HH)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	C[3](N[3]C[3]PdH)(C[3]N[3]HH)(CH3)2	C(C[3]C[3]N[3]C)(H)3	C(C[3]C[3]N[3]C)(H)3	115.5812	0.641	4	115.5812	0.411	4	114.8776	1.270	10	113.3404	1.325	163	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHHO)(CH3)	C(C[3]C[3]2C)(OC)(H)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHHO)(CH3)	C(C[3]C[3]2C)(OC)(H)2	C(C[3]C[3]2C)(H)3	115.2640	0.000	1	115.2640	0.000	1	114.5420	1.043	2	114.5420	1.043	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:2:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]C[5]H)(C[3]C[3]CH)(CHHO)(CH3)	C(C[3]C[3]2C)(OH)(H)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]C[5]H)(C[3]C[3]CH)(CHHO)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[3]C[3]2C)(OH)(H)2	C(C[3]C[3]2C)(H)3	113.8200	0.000	1	113.8200	0.000	1	114.5420	1.043	2	114.5420	1.043	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:2:1:1:	4:2:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:O-2:H-1:H-1:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CHHO)2	C(C[3]C[3]2C)(OC[6a])(H)2	C(C[3]C[3]2C)(OC[6a])(H)2	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CHHO)2	C(C[3]C[3]2C)(OC[6a])(H)2	C(C[3]C[3]2C)(OC[6a])(H)2	112.8600	0.235	2	112.8600	0.055	2	112.8600	0.055	2	112.8600	0.055	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:2:2:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-2:O-2:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(CCHO)(CH3)	C(C[3]C[3]2C)(CN)(OH)(H)	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(CCHO)(CH3)	C(C[3]C[3]2C)(CN)(OH)(H)	C(C[3]C[3]2C)(H)3	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	112.5670	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-3:H-1:H-1:	C[3]-4:S-2:H-1:H-1:	C[3](C[3]C[3]HH)2(CCHH)(CHHS)	C(C[3]C[3]2C)(CNO)(H)2	C(C[3]C[3]2C)(SC)(H)2	C[3](C[3]C[3]HH)2(CCHH)(CHHS)	C(C[3]C[3]2C)(CNO)(H)2	C(C[3]C[3]2C)(SC)(H)2	116.7783	2.292	3	116.7783	5.255	3	116.7648	2.628	5	116.7648	2.628	5	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:3:1:1:	4:2:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-3:H-1:H-1:	C[3]-4:S-2:H-1:H-1:	C[3](C[3]C[3]HH)2(CCHH)(CHHS)	C(C[3]C[3]2C)(COO)(H)2	C(C[3]C[3]2C)(SC)(H)2	C[3](C[3]C[3]HH)2(CCHH)(CHHS)	C(C[3]C[3]2C)(COO)(H)2	C(C[3]C[3]2C)(SC)(H)2	116.7445	0.035	2	116.7445	0.001	2	116.7648	2.628	5	116.7648	2.628	5	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,5]-4:C[3,5]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[3,5]C[5]H)2(CCHH)(CH3)	C(C[3]C[3,5]2C)(CCHH)(H)2	C(C[3]C[3,5]2C)(H)3	C[3](C[3,5]C[3,5]C[5]H)2(CCHH)(CH3){1|C<4>,2|H<1>,2|O<2>}	C(C[3]C[3,5]2C)(CCHH)(H)2	C(C[3]C[3,5]2C)(H)3	115.3040	0.000	1	115.3040	0.000	1	115.3040	0.000	1	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,5]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]Cl2)(CCHH)(CH3)	C(C[3]C[3,5]C[3]C)(CCHH)(H)2	C(C[3]C[3,5]C[3]C)(H)3	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[3]C[3,5]C[3]C)(CCHH)(H)2	C(C[3]C[3,5]C[3]C)(H)3	112.6690	0.000	1	112.6690	0.000	1	112.6690	0.000	1	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[3,6]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3,6]C[6]H)2(CCHH)(CH3)	C(C[3]C[3,6]2C)(CC[6]HH)(H)2	C(C[3]C[3,6]2C)(H)3	C[3](C[3,6]C[3,6]C[6]H)2(CCHH)(CH3){1|O<1>,2|C<4>,2|H<1>}	C(C[3]C[3,6]2C)(CC[6]HH)(H)2	C(C[3]C[3,6]2C)(H)3	112.2840	0.000	1	112.2840	0.000	1	112.2840	0.000	1	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	112.6820	1.268	3	112.5867	1.230	6	112.9819	0.427	39	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	113.8120	0.000	1	112.5867	1.230	6	112.9819	0.427	39	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Br2)(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	111.8310	0.513	2	112.5867	1.230	6	112.9819	0.427	39	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	112.8763	0.483	6	112.9422	0.270	25	112.9819	0.427	39	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	113.2250	0.500	8	112.9422	0.270	25	112.9819	0.427	39	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]Cl2)(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	112.7725	0.509	11	112.9422	0.270	25	112.9819	0.427	39	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	113.2110	0.000	1	113.4026	0.172	8	112.9819	0.427	39	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	113.1960	0.000	1	113.4026	0.172	8	112.9819	0.427	39	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3,6]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3)	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[3]C[3,6]C[3]C)(CCHH)(H)2	C(C[3]C[3,6]C[3]C)(H)3	113.4690	0.469	6	113.4026	0.172	8	112.9819	0.427	39	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]Br2)(C[3]C[3]CH)(CCHH)(CH3)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]Br2)(C[3]C[3]CH)(CCHH)(CH3)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(H)3	113.3135	0.709	2	113.3135	0.503	2	114.2446	0.654	14	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]FF)(CCHH)(CH3)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CH)(C[3]C[3]FF)(CCHH)(CH3)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(H)3	115.5805	0.030	2	115.5805	0.001	2	114.2446	0.654	14	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CH)2(CCHH)(CH3)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CH)2(CCHH)(CH3)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(H)3	114.5445	0.105	2	114.5445	0.011	2	114.2446	0.654	14	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]CH)2(CCHH)(CH3)	C(C[3]C[3]2C)(CC[5]HH)(H)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CH)2(CCHH)(CH3)	C(C[3]C[3]2C)(CC[5]HH)(H)2	C(C[3]C[3]2C)(H)3	114.2560	0.740	2	114.2560	0.547	2	114.2446	0.654	14	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]C[5]H)(C[3]C[3]CH)(CCHH)(CH3)	C(C[3]C[3]2C)(CC[5]HH)(H)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]C[5]H)(C[3]C[3]CH)(CCHH)(CH3){1|C<3>,2|O<2>}	C(C[3]C[3]2C)(CC[5]HH)(H)2	C(C[3]C[3]2C)(H)3	113.5493	0.389	3	113.5493	0.151	3	114.2446	0.654	14	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CCHH)(CH3)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(H)3	114.6680	0.000	1	114.6680	0.000	1	114.2446	0.654	14	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CCHH)(CH3)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CCHH)(CH3)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(H)3	114.3595	0.045	2	114.3595	0.002	2	114.2446	0.654	14	113.3210	0.847	56	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]C[3]HH)(C[3]C[3]NO)(CCHH)2	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(CHHO)(H)2	C[3](C[3]C[3]HH)(C[3]C[3]NO)(CCHH)2	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(CHHO)(H)2	115.7210	0.000	1	115.7210	0.000	1	115.7210	0.000	1	116.3910	2.495	5	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(CC[3]HH)2	C(C[3]C[3]2C)2(H)2	C(C[3]C[3]2C)2(H)2	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(CC[3]HH)2	C(C[3]C[3]2C)2(H)2	C(C[3]C[3]2C)2(H)2	116.5585	1.772	4	116.5585	3.140	4	116.5585	3.140	4	116.3910	2.495	5	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:2:1:	4:4:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C-4:H-1:H-1:	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CCHH)(CCHO)	C(C[3]C[3]2C)(CCCH)(OH)(H)	C(C[3]C[3]2C)(CCHH)(H)2	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CCHH)(CCHO)	C(C[3]C[3]2C)(CCCH)(OH)(H)	C(C[3]C[3]2C)(CCHH)(H)2	116.3300	0.000	1	116.3300	0.000	1	116.3300	0.000	1	116.3300	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(CCCH)(CH3)	C(C[3]C[3]2C)(CCHH)2(H)	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]Br2)(C[3]C[3]HH)(CCCH)(CH3)	C(C[3]C[3]2C)(CCHH)2(H)	C(C[3]C[3]2C)(H)3	115.2390	0.000	1	115.2390	0.000	1	115.4295	0.073	2	115.4295	0.073	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:4:1:	4:1:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(CCCH)(CH3)	C(C[3]C[3]2C)(CCHH)2(H)	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(CCCH)(CH3)	C(C[3]C[3]2C)(CCHH)2(H)	C(C[3]C[3]2C)(H)3	115.6200	0.000	1	115.6200	0.000	1	115.4295	0.073	2	115.4295	0.073	2	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	4:4:4:4:	4:4:4:1:	4:2:1:1:	C[3]-4:C[3]-4:C-4:C-4:	C[3]-4:C-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCCH)(CHHO)	C(C[3]C[3]2C)(CH3)2(H)	C(C[3]C[3]2C)(OC)(H)2	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCCH)(CHHO){2|C<3>}	C(C[3]C[3]2C)(CH3)2(H)	C(C[3]C[3]2C)(OC)(H)2	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	115.8250	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	490	0:SP3_SP3_SP3	C[3]	C	C	5:3:4:4:	4:1:1:1:	4:1:1:1:	Nb[3,6]-5:N[3]-3:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:H-1:H-1:	C[3](Nb[3,6]N[3]N[6]2N)(N[3]Nb[3,6]C[6a])(CH3)2	C(C[3]Nb[3,6]N[3]C)(H)3	C(C[3]Nb[3,6]N[3]C)(H)3	C[3](Nb[3,6]N[3]N[6]2N)(N[3]Nb[3,6]C[6a])(CH3)2{6|C<3>}	C(C[3]Nb[3,6]N[3]C)(H)3	C(C[3]Nb[3,6]N[3]C)(H)3	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	110.4500	0.000	1	114.3361	3.117	437	114.3361	3.117	437
486	490	494	0:SP3_SP2_SP3	C[3]	C	N[3]	2:2:4:1:	4:4:1:1:	4:2:	N[3]-2:N[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:N[3]-2:	C[3](N[3]N[3])2(CCHH)(H)	C(C[3]N[3]2H)(CCHH)(H)2	N[3](C[3]N[3]CH)(N[3]C[3])	C[3](N[3]N[3])2(CCHH)(H)	C(C[3]N[3]2H)(CCHH)(H)2	N[3](C[3]N[3]CH)(N[3]C[3])	120.0482	0.460	4	120.0482	0.212	4	120.0482	0.212	4	120.0482	0.212	4	117.2598	7.729	9	117.2598	7.729	9
486	490	494	0:SP3_SP2_SP3	C[3]	C	N[3]	3:2:2:4:	4:1:1:1:	4:2:	C[6a]-3:N[3]-2:N[3]-2:C-4:	C[3]-4:F-1:F-1:F-1:	C[3]-4:N[3]-2:	C[3](C[6a]C[6a]2)(N[3]N[3])2(CF3)	C(C[3]C[6a]N[3]2)(F)3	N[3](C[3]C[6a]N[3]C)(N[3]C[3])	C[3](C[6a]C[6a]2)(N[3]N[3])2(CF3){2|C<3>,2|H<1>}	C(C[3]C[6a]N[3]2)(F)3	N[3](C[3]C[6a]N[3]C)(N[3]C[3]){2|C<3>}	114.5610	0.526	4	114.5610	0.277	4	114.5610	0.277	4	114.5610	0.277	4	117.2598	7.729	9	117.2598	7.729	9
486	490	494	0:SP3_SP2_SP3	C[3]	C	N[3]	3:2:4:1:	4:1:1:1:	3:4:	C[3]-3:N[3]-2:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-3:C[3]-4:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CF3)(H)	C(C[3]C[3]N[3]H)(F)3	N[3](C[3]C[6a]C[3])(C[3]C[3]CH)	C[3](C[3]C[6a]N[3])(N[3]C[3])(CF3)(H){2|C<3>}	C(C[3]C[3]N[3]H)(F)3	N[3](C[3]C[6a]C[3])(C[3]C[3]CH){2|C<3>}	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	116.9010	0.000	1	117.2598	7.729	9	117.2598	7.729	9
486	490	542	0:SP3_SP2_SP3	C[3,5]	C	N[5]	4:4:3:4:	4:1:1:1:	4:3:3:	C[3,5]-4:C[3]-4:N[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:N-3:	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3)	C(C[3,5]C[3,5]C[3]N[5])(H)3	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO)	C[3,5](C[3,5]C[3]N[5]C)(C[3]C[3,5]HH)(N[5]C[5]N)(CH3){1|N<3>,1|O<1>}	C(C[3,5]C[3,5]C[3]N[5])(H)3	N[5](C[3,5]C[3,5]C[3]C)(C[5]N[5]O)(NOO){1|C<4>,1|N<3>,2|H<1>}	116.8705	1.135	2	116.8705	1.288	2	116.8705	1.288	2	116.8705	1.288	2	116.8705	1.288	2	115.8360	1.929	4
486	490	542	0:SP3_SP2_SP3	C[3]	C	N[5]	4:3:3:4:	4:3:1:1:	4:4:3:	C[3]-4:C[3]-3:N[5]-3:C-4:	C[3]-4:C[6a]-3:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH)	C(C[3]C[3]2N[5])(C[6a]C[6a]2)(H)2	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O)	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[3]C[3]2N[5])(C[6a]C[6a]2)(H)2	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	115.1320	0.000	1	115.1320	0.000	1	115.1320	0.000	1	115.1320	0.000	1	114.8015	0.218	2	115.8360	1.929	4
486	490	542	0:SP3_SP2_SP3	C[3]	C	N[5]	4:4:3:4:	4:4:1:1:	4:4:3:	C[3]-4:C[3,3]-4:N[5]-3:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[5]-4:C[5]-3:	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(CCHH)	C(C[3]C[3,3]C[3]N[5])(CCHH)(H)2	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C(C[3]C[3,3]C[3]N[5])(CCHH)(H)2	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	114.4710	0.000	1	114.4710	0.000	1	114.4710	0.000	1	114.4710	0.000	1	114.8015	0.218	2	115.8360	1.929	4
486	490	622	0:SP3_SP3_SP3	C[3,6]	C	O[6]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[3]-4:O[6]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:	C[3,6](C[3,6]C[3]S[6]C)(C[3]C[3,6]Cl2)(O[6]C[6])(CH3)	C(C[3,6]C[3,6]C[3]O[6])(H)3	O[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)	C[3,6](C[3,6]C[3]S[6]C)(C[3]C[3,6]Cl2)(O[6]C[6])(CH3){1|C<4>,2|H<1>,2|O<1>}	C(C[3,6]C[3,6]C[3]O[6])(H)3	O[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH){2|Cl<1>,1|C<4>,1|S<4>,2|H<1>}	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1	112.1770	0.000	1
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:2:2:4:	4:1:1:1:	3:3:4:	C[6a]-3:N[3]-2:N[3]-2:C-4:	C[3]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(N[3]N[3])2(CF3)	C(C[3]C[6a]N[3]2)(F)3	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](C[6a]C[6a]2)(N[3]N[3])2(CF3){2|C<3>,2|H<1>}	C(C[3]C[6a]N[3]2)(F)3	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,2|H<1>}	121.4280	1.031	2	121.4280	1.063	2	121.4280	1.063	2	121.4280	1.063	2	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	C[6a]-3:N[3]-3:N[3]-3:C-4:	C[3]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3)	C(C[3]C[6a]N[3]2)(F)3	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](C[6a]C[6a]2)(N[3]N[3]C)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>}	C(C[3]C[6a]N[3]2)(F)3	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	115.3210	0.000	1	115.3210	0.000	1	115.3210	0.000	1	114.0475	0.830	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	C(C[3]C[6a]N[3]2)(F)3	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](N[3]C[4]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|H<1>,3|C<4>}	C(C[3]C[6a]N[3]2)(F)3	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	113.4475	0.380	2	113.4475	0.144	2	113.6230	0.164	3	114.0475	0.830	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:3:3:4:	4:1:1:1:	3:3:4:	N[3]-3:C[6a]-3:N[3]-3:C-4:	C[3]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3)	C(C[3]C[6a]N[3]2)(F)3	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C)	C[3](N[3]C[6]N[3])(C[6a]C[6a]2)(N[3]N[3]H)(CF3){2|C<3>,2|C<4>,3|H<1>}	C(C[3]C[6a]N[3]2)(F)3	C[6a](C[6a]C[6a]H)2(C[3]N[3]2C){1|C<3>,1|C<4>,3|H<1>}	113.9740	0.000	1	113.9740	0.000	1	113.6230	0.164	3	114.0475	0.830	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3)	C(C[3]C[6a]C[3]O[3])(F)3	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(F)3	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,4|H<1>}	114.9180	0.000	1	114.9180	0.000	1	114.9180	0.000	1	114.6335	0.162	2	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:2:4:	4:1:1:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:I-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI)	C(C[3]C[6a]C[3]O[3])(H)2(I)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(H)2(I)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	114.3490	0.000	1	114.3490	0.000	1	114.3490	0.000	1	114.6335	0.162	2	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:2:4:	4:2:1:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C(C[3]C[6a]C[3]O[3])(OC)(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(OC)(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	114.1065	0.467	2	114.1065	0.218	2	114.2585	10.923	4	114.2585	10.923	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:2:4:	4:2:1:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C(C[3]C[6a]C[3]O[3])(OC[6])(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(OC[6])(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	114.4105	5.697	2	114.4105	32.458	2	114.2585	10.923	4	114.2585	10.923	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:2:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C(C[3]C[6a]C[3]O[3])(CH3)(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(CH3)(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	115.8430	0.000	1	115.8430	0.000	1	115.9480	0.787	4	115.9480	0.787	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:2:4:	4:4:1:1:	4:3:3:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,1|C<4>,3|H<1>}	115.9830	1.083	3	115.9830	1.173	3	115.9480	0.787	4	115.9480	0.787	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:3:4:	4:1:1:1:	3:4:3:	C[6a]-3:C[3]-4:N[3]-3:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[3]-4:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3)	C(C[3]C[6a]C[3]N[3])(H)3	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]C)(C[6a]C[6a]H)	C[3](C[6a]C[6a]2)(C[3]N[3]HH)(N[3]C[3]S)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]N[3])(H)3	C[6a](C[6a]C[6a,6a]H)(C[3]C[3]N[3]C)(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	112.2890	0.000	1	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:3:4:	4:3:1:1:	4:3:3:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:C-3:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH)	C(C[3]C[6a]C[3]N[3])(CNS)(H)2	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]N[3])(CNS)(H)2	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:3:4:	4:4:1:1:	4:3:3:	N[3]-3:C[3]-4:C[6a]-3:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH)	C(C[3]C[6a]C[3]N[3])(C[5]N[5]2C)(H)2	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2	C[3](N[3]C[6a]C[3])(C[3]N[3]Cl2)(C[6a]C[6a]2)(CC[5]HH){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]N[3])(C[5]N[5]2C)(H)2	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)2{2|Cl<1>,2|C<3>,2|H<1>}	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:2:	4:3:1:1:	4:3:3:	C[6a]-3:C[3]-4:C-4:O[3]-2:	C[3]-4:C[6a]-3:H-1:O-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3])	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(H)(O)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3]){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(H)(O)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<3>,4|H<1>}	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[5a,6a]C[6a])(C[3]C[3]CC)2(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]O)(C[3]C[3]2C)	C[3](C[6a]C[5a,6a]C[6a])(C[3]C[3]CC)2(CH3){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[5a,6a]N[5a,6a]S[5a])(C[6a]C[6a]O)(C[3]C[3]2C){2|C<4>,3|C<2>,3|C<3>}	112.0200	0.000	1	112.0200	0.000	1	112.0200	0.000	1	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){3|C<3>,4|H<1>}	116.5000	0.000	1	116.5000	0.000	1	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<2>,1|C<3>,5|H<1>}	114.2980	0.000	1	116.0918	1.542	13	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<4>,2|C<3>,4|H<1>}	114.3290	0.000	1	116.0918	1.542	13	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	116.4151	1.050	11	116.0918	1.542	13	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CH)(C[3]C[3]HO)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|O<2>,2|C<3>,4|H<1>}	113.4910	0.226	2	113.4910	0.051	2	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CN)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	112.7510	0.035	2	112.7510	0.001	2	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){1|P<4>,3|C<3>,3|H<1>}	113.0780	0.000	1	113.0780	0.000	1	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]CP)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|P<4>,2|C<3>,4|H<1>}	112.4730	0.000	1	112.4730	0.000	1	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HN)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(C[3]C[3]2C){1|N<3>,2|C<3>,4|H<1>}	115.2010	0.000	1	115.2010	0.000	1	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	114.9500	0.000	1	114.9500	0.000	1	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:1:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]NP)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|N<3>,1|P<4>,4|H<1>}	112.9317	1.567	4	112.9317	2.455	4	114.8310	3.393	26	114.7269	3.555	27	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	3:4:4:4:	4:2:1:1:	3:3:4:	C[6a]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CHHO)	C(C[3]C[6a]C[3]2)(OC[3])(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[6a]C[6a]2)(C[3]C[3]HH)(C[3]C[3]HO)(CHHO){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(OC[3])(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|C<3>,1|O<2>,5|H<1>}	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	117.5010	0.000	1	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[3,5]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3)	C(C[3]C[3,5]C[6a]O[3])(H)3	C[6a](C[3]C[3,5]O[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C(C[3]C[3,5]C[6a]O[3])(H)3	C[6a](C[3]C[3,5]O[3]C)(C[6a]C[6a]H)2{1|C<3>,2|C<4>,2|H<1>}	115.6920	0.000	1	115.6920	0.000	1	115.6920	0.000	1	114.9810	2.527	5	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3)	C(C[3]C[6a]C[3]O[3])(F)3	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]O[3])(F)3	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	115.3410	0.000	1	115.3410	0.000	1	115.3410	0.000	1	114.9810	2.527	5	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C(C[3]C[6a]C[3]O[3])(H)3	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O)	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[3]C[6a]C[3]O[3])(H)3	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)(C[6a]C[6a]O){2|C<3>,3|C<4>}	115.3215	2.484	2	115.3215	6.171	2	114.6240	4.545	3	114.9810	2.527	5	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:2:4:	4:1:1:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C(C[3]C[6a]C[3]O[3])(H)3	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]O[3])(H)3	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{1|C<4>,2|C<3>,2|H<1>}	113.2290	0.000	1	113.2290	0.000	1	114.6240	4.545	3	114.9810	2.527	5	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:2:4:	4:4:1:1:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH)	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	115.1820	0.000	1	115.1820	0.000	1	115.1820	0.000	1	115.1820	0.000	1	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:2:4:	4:4:4:2:	4:3:3:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C-4:C-4:O-2:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO)	C(C[3]C[6a]C[3]O[3])(CF3)2(OH)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]O[3])(CF3)2(OH)	C[6a](C[3]C[3]O[3]C)(C[6a]C[6a]H)2{2|C<3>,3|H<1>}	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:3:4:	4:1:1:1:	4:3:3:	C[3,5]-4:N[3,5]-3:C[6a]-3:C-4:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3)	C(C[3]C[3,5]N[3,5]C[6a])(F)3	C[6a](C[3]C[3,5]N[3,5]C)(C[6a]C[6a]H)2	C[3](C[3,5]N[3,5]C[5]F)(N[3,5]C[3,5]C[5])(C[6a]C[6a]2)(CF3){2|C<4>,2|F<1>,2|H<1>,3|C<3>}	C(C[3]C[3,5]N[3,5]C[6a])(F)3	C[6a](C[3]C[3,5]N[3,5]C)(C[6a]C[6a]H)2{1|C<3>,1|F<1>,2|C<4>,2|H<1>}	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	112.0360	0.000	1	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:3:4:	4:4:4:4:	4:3:3:	C[3]-4:C[6a]-3:N[3]-3:C-4:	C[3]-4:C-4:C-4:C-4:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3)	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N)	C[3](C[3]C[6a]N[3]H)(C[6a]C[6a]2)(N[3]C[3]H)(CC3){1|H<1>,1|N<3>,4|C<3>}	C(C[3]C[6a]C[3]N[3])(CCHH)(CHHO)(CH3)	C[6a](C[3]C[3]N[3]C)(C[6a]C[6a]H)(C[6a]C[6a]N){2|C<3>,4|H<1>}	117.1440	1.059	2	117.1440	1.122	2	117.1440	1.122	2	117.1440	1.122	2	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:4:4:	4:1:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CF3)	C(C[3]C[6a]C[3]2)(F)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CF3){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]2)(F)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	113.3050	0.000	1	113.3050	0.000	1	113.3050	0.000	1	113.3400	0.820	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:4:4:	4:1:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:F-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(CFHH)	C(C[3]C[6a]C[3]2)(F)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[6a]C[6a]2)(C[3]C[3]HH)(CFHH){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]2)(F)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){3|C<3>,4|H<1>}	113.7605	1.207	2	113.7605	1.457	2	113.7605	1.457	2	113.3400	0.820	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:4:4:	4:1:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(CH3)	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[3]BrC)(C[6a]C[6a]2)(C[3]C[3]HH)(CH3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]2)(H)3	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){1|Br<1>,2|C<3>,4|H<1>}	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	113.3400	0.820	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:3:4:4:	4:4:1:1:	3:3:4:	C[3]-4:C[6a]-3:C[3]-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CCHH)	C(C[3]C[6a]C[3]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[6a]C[6a]2)(C[3]C[3]HH)(CCHH){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(C[3]C[3]2C){2|C<3>,5|H<1>}	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:4:3:4:	4:1:1:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3)	C(C[3]C[3,5]2C[6a])(H)3	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C(C[3]C[3,5]2C[6a])(H)3	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{1|Br<1>,3|C<3>,3|H<1>}	114.5300	0.000	1	114.2780	0.127	2	114.2780	0.127	2	114.6755	2.162	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:4:3:4:	4:1:1:1:	4:3:3:	C[3,5]-4:C[3,5]-4:C[6a]-3:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3)	C(C[3]C[3,5]2C[6a])(H)3	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2	C[3](C[3,5]C[3,5]C[5]H)2(C[6a]C[6a]2)(CH3){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C(C[3]C[3,5]2C[6a])(H)3	C[6a](C[3]C[3,5]2C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	114.0260	0.000	1	114.2780	0.127	2	114.2780	0.127	2	114.6755	2.162	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:4:3:4:	4:1:1:1:	4:3:3:	C[3,5]-4:C[3]-4:C[6a]-3:C-4:	C[3]-4:F-1:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH)	C(C[3]C[3,5]C[6a]C[3])(F)(H)2	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]HH)(C[6a]C[6a]2)(CFHH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C(C[3]C[3,5]C[6a]C[3])(F)(H)2	C[6a](C[3]C[3,5]C[3]C)(C[6a]C[6a]H)2{3|C<3>,4|H<1>}	113.3810	0.000	1	113.3810	0.000	1	113.3810	0.000	1	114.6755	2.162	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:4:3:4:	4:1:1:1:	4:3:3:	C[3,6]-4:C[3,6]-4:C[6a]-3:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]N[6]H)(C[6a]C[6a]2)(CH3)	C(C[3]C[3,6]2C[6a])(H)3	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]N[6]H)(C[6a]C[6a]2)(CH3){3|H<1>,5|C<3>}	C(C[3]C[3,6]2C[6a])(H)3	C[6a](C[3]C[3,6]2C)(C[6a]C[6a]H)2{1|N<3>,2|C<3>,4|H<1>}	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	114.6755	2.162	4	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:4:3:4:	4:3:1:1:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3]-4:C-3:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C(C[3]C[3,5,6,6]2C[6a])(COO)(H)2	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C(C[3]C[3,5,6,6]2C[6a])(COO)(H)2	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{1|N<2>,2|H<1>,4|C<3>}	112.6520	0.000	1	112.6520	0.000	1	112.6520	0.000	1	112.6520	0.000	1	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH)	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]2C[5,6,6a])(C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)(C[6a]C[6a]2)(CCHH){2|C<4>,2|H<1>,9|C<3>}	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{1|C<4>,2|H<1>,4|C<3>}	108.8942	0.327	4	108.8942	0.107	4	112.0471	7.752	10	112.0471	7.752	10	114.6257	6.227	78	114.6257	6.227	78
486	490	643	0:SP3_SP2_SP3	C[3]	C	C[6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5,6,6]-4:C[3,5,6,6]-4:C[6a]-3:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[6a]-3:C[6a]-3:	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH)	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(C[6a]C[6a]2)(CCHH){10|C<3>,2|H<1>}	C(C[3]C[3,5,6,6]2C[6a])(CCHH)(H)2	C[6a](C[3]C[3,5,6,6]2C)(C[6a]C[6a]H)2{2|H<1>,5|C<3>}	114.1490	0.797	6	114.1490	0.634	6	112.0471	7.752	10	112.0471	7.752	10	114.6257	6.227	78	114.6257	6.227	78
486	490	654	0:SP3_SP3_SP3	C[3,3,5,6]	C	B[3,3,5,6]	6:5:4:4:	4:3:1:1:	6:6:4:1:	B[5x3,5,6]-6:B[3x3,5,5,6,6]-5:B[3,3,5,6]-4:C-4:	C[3,3,5,6]-4:C[6a]-3:H-1:H-1:	B[5x3,5,6]-6:B[4x3,3x5,3x6]-6:C[3,3,5,6]-4:H-1:	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH)	C(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]B[5x3,5,6])(C[6a]C[6a]2)(H)2	B[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[5x3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]C)(H)	C[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[3,3,5,6]H)(B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]B[5x3,5,6]H)(B[3,3,5,6]B[4x3,3x5,3x6]B[5x3,5,6]H)(CC[6a]HH){1|B<4>,1|B<5>,2|B<6>,3|H<1>}	C(C[3,3,5,6]B[3x3,5,5,6,6]B[3,3,5,6]B[5x3,5,6])(C[6a]C[6a]2)(H)2	B[3,3,5,6](B[5x3,5,6]B[3x3,5,5,6,6]B[4x3,3x5,3x6]B[5x3,5,5,6]C[3,3,5,6]H)(B[4x3,3x5,3x6]B[3x3,5,5,6,6]B[5x3,5,5,6]2B[5x3,5,6]H)(C[3,3,5,6]B[3x3,5,5,6,6]B[5x3,5,6]C)(H){1|C<4>,2|B<6>,4|H<1>}	126.3020	0.803	2	126.3020	0.645	2	126.3020	0.645	2	126.3020	0.645	2	126.3020	0.645	2	124.4957	10.111	3
486	490	654	0:SP3_SP3_SP3	C[3,4,3x6]	C	B[3,4,3x6]	6:5:4:4:	4:3:1:1:	6:5:4:1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:B[3,4,3x6]-4:C-4:	C[3,4,3x6]-4:C[6a]-3:H-1:H-1:	B[4x3,4,5,5,8x6]-6:B[3x3,5,6x6]-5:C[3,4,3x6]-4:H-1:	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH)	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6])(C[6a]C[6a]2)(H)2	B[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(H)	C[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[5x3,5,5,5x6]C[3x3,5,5,8x6]H)(B[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]H)(CC[6a]HH){1|B<5>,1|C<4>,2|B<6>,4|H<1>}	C(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]B[3,4,3x6])(C[6a]C[6a]2)(H)2	B[3,4,3x6](B[4x3,4,5,5,8x6]B[4x3,4,5,5,8x6]B[5x3,3x5,4x6]B[5x3,5,5,5x6]B[3x3,5,6x6]H)(B[3x3,5,6x6]B[4x3,4,5,5,8x6]B[3x3,5,5,8x6]B[5x3,5,5,5x6]H)(C[3,4,3x6]B[4x3,4,5,5,8x6]B[3x3,5,6x6]C)(H){1|C<5>,2|B<6>,5|H<1>}	120.8830	0.000	1	120.8830	0.000	1	120.8830	0.000	1	120.8830	0.000	1	120.8830	0.000	1	124.4957	10.111	3
486	490	682	0:SP3_SP-NON_SP3	C[3,5]	C	Ga[3]	4:3:3:4:	4:1:1:1:	4:4:4:	C[3,5]-4:Ga[3]-3:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:C[5]-4:	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3)	C(C[3,5]C[3,5]Ga[3]C[5])(H)3	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C)	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	C(C[3,5]C[3,5]Ga[3]C[5])(H)3	Ga[3](C[3,5]C[3,5]C[5]C)2(C[5]C[5]2C){3|C<3>,4|C<4>}	125.1105	0.383	2	125.1105	0.146	2	125.1105	0.146	2	125.1105	0.146	2	125.1105	0.146	2	125.1105	0.146	2
486	490	706	0:SP3_SP3_SP3	C[3]	C	S[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	C(C[3]C[3]S[3]H)(H)3	S[3](C[3]C[3]CH)2	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	C(C[3]C[3]S[3]H)(H)3	S[3](C[3]C[3]CH)2	118.4270	0.000	2	118.4270	0.000	2	118.4270	0.000	2	118.4270	0.000	2	116.8618	1.792	10	116.8618	1.792	10
486	490	706	0:SP3_SP3_SP3	C[3]	C	S[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	C(C[3]C[3]S[3]H)(NHS)(H)2	S[3](C[3]C[3]CH)2	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	C(C[3]C[3]S[3]H)(NHS)(H)2	S[3](C[3]C[3]CH)2	116.7150	0.000	2	116.7150	0.000	2	116.7150	0.000	2	116.7150	0.000	2	116.8618	1.792	10	116.8618	1.792	10
486	490	706	0:SP3_SP3_SP3	C[3]	C	S[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:S-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	C(C[3]C[3]S[3]H)(SC[6a]OO)(H)2	S[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	C(C[3]C[3]S[3]H)(SC[6a]OO)(H)2	S[3](C[3]C[3]CH)(C[3]C[3]HH)	115.9224	0.910	5	115.9224	0.829	5	115.9224	0.829	5	115.9224	0.829	5	116.8618	1.792	10	116.8618	1.792	10
486	490	706	0:SP3_SP3_SP3	C[3]	C	S[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H){2|C<3>}	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	S[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	118.7220	0.000	1	118.7220	0.000	1	118.7220	0.000	1	118.7220	0.000	1	116.8618	1.792	10	116.8618	1.792	10
486	490	727	0:SP3_SP2_SP3	C[3,5]	C	C[5,6a]	3:4:4:4:	4:3:1:1:	4:3:3:	C[5,6a]-3:C[3,5]-4:C[3]-4:C-4:	C[3,5]-4:C[6a]-3:H-1:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH)	C(C[3,5]C[5,6a]C[3,5]C[3])(C[6a]C[6a]2)(H)2	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3]N[5]H)(C[3]C[3,5]CC)(CC[6a]HH){1|H<1>,3|C<3>}	C(C[3,5]C[5,6a]C[3,5]C[3])(C[6a]C[6a]2)(H)2	C[5,6a](C[3,5]C[3,5]C[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	117.4050	3.664	5	117.4050	3.664	5
486	490	727	0:SP3_SP2_SP3	C[3,5]	C	C[5,6a]	4:3:3:4:	4:4:4:3:	4:3:3:	C[3,5]-4:C[5,6a]-3:N[3]-3:C-4:	C[3,5]-4:C-4:C-4:C-3:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3)	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5]C[6a]N[3]N[5])(C[5,6a]C[5,6a]C[6a])(N[3]C[3,5]H)(CC3){1|H<1>,1|S<4>,4|C<3>}	C(C[3,5]C[5,6a]C[3,5]N[3])(CCHH)(CH3)(COO)	C[5,6a](C[3,5]C[3,5]N[3]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|S<4>,2|C<3>,3|H<1>}	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	117.4050	3.664	5	117.4050	3.664	5
486	490	727	0:SP3_SP2_SP3	C[3,5]	C	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5,6]-4:C[3,6]-4:C[5,6a]-3:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH)	C(C[3,5]C[3,5,6]C[5,6a]C[3,6])(CN[5]HH)(H)2	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	C[3,5](C[3,5,6]C[3,6]C[6]N[5])(C[3,6]C[3,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CCHH){2|C<4>,3|C<3>,5|H<1>}	C(C[3,5]C[3,5,6]C[5,6a]C[3,6])(CN[5]HH)(H)2	C[5,6a](C[3,5]C[3,5,6]C[3,6]C)(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	116.0573	0.175	3	117.4050	3.664	5	117.4050	3.664	5
486	490	727	0:SP3_SP2_SP3	C[3,5]	C	C[5,6a]	4:4:3:4:	4:4:1:1:	4:3:3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:C[5,6a]-3:C[6a]-3:	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH)	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(CH3)(H)2	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	C[3,5](C[3,5]C[3,5,5]C[5,6a]C)(C[3,5,5]C[3,5]C[5,5]C)(C[5,6a]C[5,6a]C[6a])(CCHH){1|C<4>,1|H<1>,4|C<3>}	C(C[3,5]C[3,5,5]C[5,6a]C[3,5])(CH3)(H)2	C[5,6a](C[3,5]C[3,5,5]C[3,5]C)(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>,3|C<4>}	116.2305	0.412	2	116.2305	0.170	2	116.2305	0.170	2	116.0573	0.175	3	117.4050	3.664	5	117.4050	3.664	5
486	490	762	0:SP3_SP2_SP3	C[3,6,6]	C	C[6,6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3,5,6]-4:C[3,5,6]-4:C[6,6]-3:C-4:	C[3,6,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[6,6]-4:O-1:	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3)	C(C[3,6,6]C[3,5,6]2C[6,6])(H)3	C[6,6](C[3,6,6]C[3,5,6]2C)(C[6,6]C[5,6,6]HO)(O)	C[3,6,6](C[3,5,6]C[3,5,6]C[5,6,6]C[6a])(C[3,5,6]C[3,5,6]C[5,6]H)(C[6,6]C[6,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[3,6,6]C[3,5,6]2C[6,6])(H)3	C[6,6](C[3,6,6]C[3,5,6]2C)(C[6,6]C[5,6,6]HO)(O){1|H<1>,2|C<3>,2|C<4>}	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	116.3270	0.000	1	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6,6]	3:4:2:4:	4:4:4:4:	4:3:2:	C[6,6]-3:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:C-4:C-4:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3)	C(C[3,6]C[3,6]C[6,6]O[3])(CH3)3	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6])	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3){1|C<3>,1|O<2>,3|C<4>}	C(C[3,6]C[3,6]C[6,6]O[3])(CH3)3	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<4>,5|H<1>}	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:O-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(H)2(O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){1|C<3>,1|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(H)2(O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	116.6890	0.000	2	117.2045	0.354	4	117.2045	0.354	4	117.2045	0.354	4	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:2:3:4:	4:1:1:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:O-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(H)2(O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){2|C<3>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(H)2(O)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	117.7200	0.000	2	117.2045	0.354	4	117.2045	0.354	4	117.2045	0.354	4	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:2:3:4:	4:1:1:1:	4:4:1:	C[3,6,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3)	C(C[3,6]C[3,6,6]C[6]O[3])(H)3	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[3,6]C[3,6,6]C[6]O[3])(H)3	C[6](C[3,6]C[3,6,6]O[3]C)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	116.5680	0.000	1	116.5680	0.000	1	116.5680	0.000	1	116.4003	0.022	3	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:2:3:4:	4:1:1:1:	4:4:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	116.3165	0.036	2	116.3165	0.001	2	116.3165	0.001	2	116.4003	0.022	3	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:2:3:4:	4:2:1:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:O-2:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(OS)(H)2	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(OS)(H)2	C[6](C[3,6]C[3,6]O[3]C)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	116.1960	0.000	1	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:2:3:4:	4:3:1:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C-3:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C(C[3,6]C[3,6]C[6]O[3])(CCH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(CCH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O){1|H<1>,2|C<4>}	116.9000	0.000	1	116.9000	0.000	1	116.9000	0.000	1	116.9000	0.000	1	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:2:3:4:	4:3:2:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C-3:O-2:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO)	C(C[3,6]C[3,6]C[6]O[3])(COO)(OC)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO){1|C<3>,1|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(COO)(OC)(H)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|O<2>}	116.0210	0.000	1	116.0210	0.000	1	116.0210	0.000	1	116.0210	0.000	1	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:2:3:4:	4:4:1:1:	4:3:1:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C-4:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O)	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	118.3640	0.397	2	118.3640	0.158	2	118.3640	0.158	2	118.3640	0.158	2	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:3:2:4:	4:1:1:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	C[6](C[3,6]C[3,6]C[3]H)(C[3,6]C[3,6]O[3]C)(O){1|C<4>,1|H<1>,3|C<3>}	117.6090	0.533	4	117.6090	0.284	4	117.6090	0.284	4	117.6090	0.284	4	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:3:2:4:	4:2:1:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	C[6](C[3,6]C[3,6,6]O[3]H)(C[3,6]C[3,6]O[3]C)(O){1|H<1>,2|C<4>}	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:3:2:4:	4:4:4:1:	4:4:1:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C-4:C-4:H-1:	C[3,6,6]-4:C[3,6]-4:O-1:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH)	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH){1|H<1>,2|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	C[6](C[3,6,6]C[3,6,6]C[3,6]O[3])(C[3,6]C[3,6]O[3]C)(O){1|O<2>,2|H<1>,3|C<4>}	120.8130	0.000	1	120.8130	0.000	1	120.8130	0.000	1	120.8130	0.000	1	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:3:3:4:	4:1:1:1:	4:3:1:	C[3,5,6]-4:P[3,5]-3:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3)	C(C[3,6]C[3,5,6]P[3,5]C[6])(H)3	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H)	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3){3|C<3>,3|C<4>}	C(C[3,6]C[3,5,6]P[3,5]C[6])(H)3	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]2C[6])(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,4|H<1>}	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	115.6120	0.000	1	115.6120	0.000	1	115.4475	0.054	2	114.8130	1.008	4	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:H-1:	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3)	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H)	C[3,6](C[3,6]C[3]C[6]C)(C[3]C[3,6]HH)(C[6]C[6]H)(CH3){1|N<3>,3|H<1>}	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]N[6]H)(H){1|S<4>,2|C<4>,2|H<1>}	115.2830	0.000	1	115.2830	0.000	1	115.4475	0.054	2	114.8130	1.008	4	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:N[6]-3:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3)	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]CH)(C[6]N[6]O)(CH3){1|C<4>,1|S<4>,2|H<1>}	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(N[6]C[6]S)(O){1|C<3>,1|C<4>,4|H<1>}	113.3540	0.000	1	113.3540	0.000	1	113.3540	0.000	1	114.8130	1.008	4	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,5|C<3>}	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	115.0030	0.000	1	115.0030	0.000	1	115.0030	0.000	1	114.8130	1.008	4	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3,6,6]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3)	C(C[3,6]C[3,6,6]C[3,6]C[6])(H)3	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[6]C[6]HH)(O)	C[3,6](C[3,6,6]C[3,6]C[5,6]C[6])(C[3,6]C[3,6,6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C(C[3,6]C[3,6,6]C[3,6]C[6])(H)3	C[6](C[3,6]C[3,6,6]C[3,6]C)(C[6]C[6]HH)(O){1|C<3>,2|C<4>,3|H<1>}	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	114.7454	0.353	9	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3,6]C[5,5,6]C[3]C)(C[3]C[3,6]HH)(C[6]C[6]O)(CH3)	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[5,5,6]HH)(O)	C[3,6](C[3,6]C[5,5,6]C[3]C)(C[3]C[3,6]HH)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[5,5,6]HH)(O){2|H<1>,4|C<4>}	115.1870	0.000	1	115.1870	0.000	1	115.1870	0.000	1	114.7454	0.353	9	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3)	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[3,6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[3,6]C[3,6]O[3]H)(O){1|C<4>,1|H<1>,3|C<3>}	115.0130	0.267	4	115.0130	0.071	4	115.0130	0.071	4	114.7454	0.353	9	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[4,6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3)	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[4,6]C[4,6]C[4]H)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[4,6]O)(CH3){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[4,6]C[4,6]C[4]H)(O){2|C<4>,3|C<3>,3|H<1>}	114.4590	0.890	2	114.4590	0.791	2	114.4590	0.791	2	114.7454	0.353	9	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:4:3:4:	4:1:1:1:	4:4:1:	C[3]-4:C[3,6]-4:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3)	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)	C[3,6](C[3]C[3,6]C[6a]2)(C[3,6]C[3]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(C[3,6]C[3,6]C[3]C[6])(H)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	114.8800	0.000	1	114.8800	0.000	1	114.8800	0.000	1	114.7454	0.353	9	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3,6]	C	C[6]	4:4:3:4:	4:4:4:4:	4:3:1:	C[3,6]-4:C[3]-4:C[6]-3:C-4:	C[3,6]-4:C-4:C-4:C-4:	C[3,6]-4:C[6]-3:O-1:	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3)	C(C[3,6]C[3,6]C[3]C[6])(CH3)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C(C[3,6]C[3,6]C[3]C[6])(CH3)3	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	117.9770	0.000	1	117.9770	0.000	1	117.9770	0.000	1	117.9770	0.000	1	116.3060	2.530	33	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	Ge[3x6]-4:C[6,6]-3:C[3]-4:	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C(C[3]C[6,6]C[3]2)(H)3	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C)	C[3](C[6,6]Ge[3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	C(C[3]C[6,6]C[3]2)(H)3	C[6,6](Ge[3x6]C[3x6]C[6,6]C[6a])(C[6,6]Ge[5,3x6]H)(C[3]C[3]2C){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	118.6160	0.000	1	118.6160	0.000	1	118.6160	0.000	1	117.4375	2.778	2	117.4375	2.778	2	116.4973	2.998	37
486	490	762	0:SP3_SP2_SP3	C[3]	C	C[6,6]	3:4:4:4:	4:1:1:1:	4:3:4:	C[6,6]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	Ge[5,3x6]-4:C[6,6]-3:C[3]-4:	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3)	C(C[3]C[6,6]C[3]2)(H)3	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C)	C[3](C[6,6]Ge[5,3x6]C[6,6])(C[3]C[6a]C[3]H)(C[3]C[3]HO)(CH3){1|Ge<4>,1|C<4>,1|H<1>,4|C<3>}	C(C[3]C[6,6]C[3]2)(H)3	C[6,6](Ge[5,3x6]C[5,3x6]C[5,6a]C[6,6])(C[6,6]Ge[3x6]H)(C[3]C[3]2C){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	117.4375	2.778	2	117.4375	2.778	2	116.4973	2.998	37
486	490	778	0:SP3_SP3_SPD5	C[3,3,5,4x6]	C	C[3x3,5,5,7x6]	6:5:5:4:	4:1:1:1:	6:6:6:4:4:	B[5x3,5,5,4x6]-6:B[3x3,5,5,7x6]-5:C[3x3,5,5,7x6]-5:C-4:	C[3,3,5,4x6]-4:H-1:H-1:H-1:	B[4x3,5,5,7x6]-6:B[5x3,3x5,6,6]-6:B[5x3,5,5,4x6]-6:C[3,3,5,4x6]-4:C-4:	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3)	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(H)3	C[3x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(CH3)	C[3,3,5,4x6](B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3x3,5,5,7x6]H)(B[3x3,5,5,7x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H)(C[3x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]C)(CH3){1|B<5>,1|B<6>,1|H<2>,4|H<1>}	C(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C[3x3,5,5,7x6])(H)3	C[3x3,5,5,7x6](B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]B[3x3,5,4x6]H[3]H)(B[5x3,3x5,6,6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]2H)(B[5x3,5,5,4x6]B[3x3,5,5,7x6]B[5x3,3x5,6,6]2C[3,3,5,4x6]H)(C[3,3,5,4x6]B[3x3,5,5,7x6]B[5x3,5,5,4x6]C)(CH3){1|B<5>,4|H<1>}	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1
486	490	790	0:SP3_SP-NON_SP3	C[3]	C	Cl	4:3:4:1:	4:3:3:1:	4:	C[3]-4:N[3]-3:C-4:Cl-1:	C[3]-4:C[6a]-3:N-3:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl)	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(NCH)(H)	Cl(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]S)(CC[6a]HN)(Cl){2|C<3>}	C(C[3]C[3]N[3]Cl)(C[6a]C[6a]2)(NCH)(H)	Cl(C[3]C[3]N[3]C)	114.9090	0.000	1	114.9090	0.000	1	114.9090	0.000	1	114.9090	0.000	1	114.9090	0.000	1	114.9090	0.000	1
486	490	818	0:SP3_SP2_SP3	C[3,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[3,4,5]-4:P[3,4,6]-4:C[5,6]-3:C-4:	C[3,5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6]-3:C-4:	C[3,5,6](C[3,4,5]C[4,5,6]P[3,4,6]C)(P[3,4,6]C[3,4,5]P[4,6]W)(C[5,6]C[5,6]C)(CH3)	C(C[3,5,6]C[3,4,5]P[3,4,6]C[5,6])(H)3	C[5,6](C[3,5,6]C[3,4,5]P[3,4,6]C)(C[5,6]C[4,5,6]C)(CH3)	C[3,5,6](C[3,4,5]C[4,5,6]P[3,4,6]C)(P[3,4,6]C[3,4,5]P[4,6]W)(C[5,6]C[5,6]C)(CH3){1|W<6>,3|C<4>}	C(C[3,5,6]C[3,4,5]P[3,4,6]C[5,6])(H)3	C[5,6](C[3,5,6]C[3,4,5]P[3,4,6]C)(C[5,6]C[4,5,6]C)(CH3){1|P<4>,1|W<6>,2|C<4>}	117.7230	0.000	1	117.7230	0.000	1	117.7230	0.000	1	118.1355	0.340	2	117.9043	0.330	3	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5,6]	C	C[5,6]	4:4:3:4:	4:1:1:1:	4:3:4:	C[3,4,5]-4:Si[3,4,6]-4:C[5,6]-3:C-4:	C[3,5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[5,6]-3:C-4:	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3)	C(C[3,5,6]Si[3,4,6]C[3,4,5]C[5,6])(H)3	C[5,6](C[3,5,6]Si[3,4,6]C[3,4,5]C)(C[5,6]C[4,5,6]C)(CH3)	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	C(C[3,5,6]Si[3,4,6]C[3,4,5]C[5,6])(H)3	C[5,6](C[3,5,6]Si[3,4,6]C[3,4,5]C)(C[5,6]C[4,5,6]C)(CH3){1|Si<4>,1|N<3>,2|C<4>}	118.5480	0.000	1	118.5480	0.000	1	118.5480	0.000	1	118.1355	0.340	2	117.9043	0.330	3	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5,6]	C	C[5,6]	5:4:3:4:	4:4:1:1:	4:3:3:	B[3x3,5]-5:C[3,3,6]-4:C[5,6]-3:C-4:	C[3,5,6]-4:C-4:H-1:H-1:	C[3,5,6]-4:C[5,6]-3:C[6a]-3:	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH)	C(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)(H)2	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2)	C[3,5,6](B[3x3,5]C[3,3,6]2C[3,5,6]C[6a])(C[3,3,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[5,6]C[6a])(CCHH){7|C<3>}	C(C[3,5,6]B[3x3,5]C[3,3,6]C[5,6])(CH3)(H)2	C[5,6](C[3,5,6]B[3x3,5]C[3,3,6]C)(C[5,6]C[3,5,6]C[6a])(C[6a]C[6a]2){2|C<4>,2|F<1>,6|C<3>}	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	117.9043	0.330	3	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:2:3:4:	4:1:1:1:	4:2:1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	121.7015	0.135	2	121.7015	0.018	2	121.7015	0.018	2	121.7015	0.018	2	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:2:3:4:	4:1:1:1:	4:3:1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O){1|C<4>,2|H<1>}	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	121.1740	0.000	1	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:2:3:4:	4:4:1:1:	4:2:1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O){1|C<3>,2|H<1>}	120.8072	0.844	4	121.0668	0.591	6	121.0668	0.591	6	121.0668	0.591	6	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:2:3:4:	4:4:1:1:	4:2:1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	121.5860	0.083	2	121.0668	0.591	6	121.0668	0.591	6	121.0668	0.591	6	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:2:3:4:	4:4:2:1:	4:2:1:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C-4:O-2:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO)	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	C[5](C[3,5]C[3,5]O[3]C)(O[5]C[5])(O){1|C<4>,2|H<1>}	124.4710	0.000	1	124.4710	0.000	1	124.4710	0.000	1	124.4710	0.000	1	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:3:2:4:	4:2:1:1:	4:4:1:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[3,5]-4:O-2:H-1:H-1:	C[3,5]-4:C[5,5]-4:O-1:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO)	C(C[3,5]C[3,5]C[5]O[3])(OSi)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(O)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO){1|C<4>,1|H<1>,2|N<2>}	C(C[3,5]C[3,5]C[5]O[3])(OSi)(H)2	C[5](C[3,5]C[3,5]O[3]C)(C[5,5]C[5]2N[5])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	121.3795	0.100	2	121.3795	0.010	2	121.3795	0.010	2	121.3795	0.010	2	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:3:2:4:	4:3:2:1:	4:4:1:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[3,5]-4:C[6a]-3:O-2:H-1:	C[5,5,6]-4:C[3,5]-4:O-1:	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO)	C(C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(OH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]O[3]C)(O)	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO){2|C<4>,2|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(OH)(H)	C[5](C[5,5,6]C[5,5,6]2H)(C[3,5]C[3,5]O[3]C)(O){1|C<3>,2|C<4>,3|H<1>}	124.8760	0.000	1	124.8760	0.000	1	124.8760	0.000	1	124.8760	0.000	1	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[3,5]-4:Ga[3]-3:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3)	C(C[3,5]C[3,5]Ga[3]C[5])(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[3,5](C[3,5]Ga[3]C[5]C)(Ga[3]C[3,5]C[5])(C[5]C[5]C)(CH3){2|C<3>,3|C<4>}	C(C[3,5]C[3,5]Ga[3]C[5])(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){3|C<4>}	126.6370	0.270	2	126.6370	0.073	2	126.6370	0.073	2	126.5086	0.742	8	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[3,5]-4:In[3]-3:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Rh)(C[5]C[5]C)(CH3)	C(C[3,5]C[3,5]In[3]C[5])(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Rh)(C[5]C[5]C)(CH3){2|C<4>}	C(C[3,5]C[3,5]In[3]C[5])(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Rh<8>,2|C<4>}	126.0110	0.928	4	126.0110	0.862	4	126.4658	1.016	6	126.5086	0.742	8	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:3:3:4:	4:1:1:1:	4:3:4:	C[3,5]-4:In[3]-3:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Ru)(C[5]C[5]C)(CH3)	C(C[3,5]C[3,5]In[3]C[5])(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3)	C[3,5](C[3,5]In[3]C[5]C)(In[3]C[3,5]Ru)(C[5]C[5]C)(CH3){2|C<4>}	C(C[3,5]C[3,5]In[3]C[5])(H)3	C[5](C[3,5]C[3,5]In[3]C)(C[5]C[5]C)(CH3){1|Ru<8>,2|C<4>}	127.3755	0.097	2	127.3755	0.009	2	126.4658	1.016	6	126.5086	0.742	8	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:2:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:O[5]-2:O-1:	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]O[5]O)(CH3)	C(C[3,5]C[3,5]C[3]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O)	C[3,5](C[3,5]C[3]C[5]Br)(C[3]C[3,5]HH)(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C(C[3,5]C[3,5]C[3]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]C)(O[5]C[5])(O){1|Br<1>,1|C<3>,3|H<1>}	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(CH3)	C(C[3,5]C[3,5]C[3]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C(C[3,5]C[3,5]C[3]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O){1|C<3>,4|H<1>}	118.4370	0.000	1	118.4370	0.000	1	118.7137	0.097	3	118.7137	0.097	3	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:N[5]-3:O-1:	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3)	C(C[3,5]C[3,5]C[3]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O)	C[3,5](C[3,5]C[6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,4|C<3>}	C(C[3,5]C[3,5]C[3]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	118.8520	0.280	2	118.8520	0.078	2	118.7137	0.097	3	118.7137	0.097	3	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[3,5,5]-4:C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]C)(CH3)	C(C[3,5]C[3,5,5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3)	C[3,5](C[3,5,5]C[3,5]C[5,5]C)(C[3,5]C[3,5,5]C[5]C)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C(C[3,5]C[3,5,5]C[3,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]C[3,5]C)(C[5]C[5,5]C)(CH3){1|C<3>,1|P<4>,3|C<4>}	118.1020	1.041	2	118.1020	1.083	2	118.1020	1.083	2	118.6630	1.486	3	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:3:4:	C[3,5,5]-4:P[3,5]-4:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](C[3,5,5]C[5,5]P[3,5]C)(P[3,5]C[3,5,5]N[5]W)(C[5]C[5]C)(CH3)	C(C[3,5]C[3,5,5]P[3,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3)	C[3,5](C[3,5,5]C[5,5]P[3,5]C)(P[3,5]C[3,5,5]N[5]W)(C[5]C[5]C)(CH3){4|C<4>}	C(C[3,5]C[3,5,5]P[3,5]C[5])(H)3	C[5](C[3,5]C[3,5,5]P[3,5]C)(C[5]C[5,5]C)(CH3){1|N<3>,1|W<6>,3|C<4>}	119.7850	0.000	1	119.7850	0.000	1	119.7850	0.000	1	118.6630	1.486	3	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:4:3:4:	4:1:1:1:	4:4:3:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-4:C-3:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(CH3)	C(C[3,5]C[3,5]C[3]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]C)(CH3){2|C<3>,2|H<1>}	C(C[3,5]C[3,5]C[3]C[5])(H)3	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[5]HH)(CC[6a]H){2|C<3>,3|H<1>}	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:4:3:4:	4:4:1:1:	4:3:1:	C[3,5]-4:C[3]-4:C[5]-3:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(CCHH)	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[6a]C[5])(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]H)(CCHH){1|C<3>,1|O<1>}	C(C[3,5]C[3,5]C[3]C[5])(CCHH)(H)2	C[5](C[3,5]C[3,5]C[3]C)(C[5]C[6a]C[5])(H){1|O<1>,2|H<1>,3|C<3>}	120.2740	0.000	1	120.2740	0.000	1	120.2740	0.000	1	120.2740	0.000	1	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:4:3:4:	4:4:4:1:	4:3:1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:C-4:	C[3,5]-4:C-4:C-4:H-1:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(CCCH)	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]C)(H)	C[3,5](C[3,5,6]C[3,6]C[5]C[6])(C[3,6]C[3,5,6]C[6]H)(C[5]C[5]H)(CCCH){4|H<1>,5|C<4>}	C(C[3,5]C[3,5,6]C[3,6]C[5])(CCCH)(CCHH)(H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(C[5]C[5]C)(H){2|C<4>,3|H<1>}	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1	119.1400	0.000	1	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	4:4:3:4:	4:4:4:4:	4:3:1:	C[3,5]-4:C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:C-4:C-4:C-4:	C[3,5]-4:C[5]-3:H-1:	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]H)(CC3)	C(C[3,5]C[3,5]2C[5])(CH3)3	C[5](C[3,5]C[3,5]2C)(C[5]C[5]C)(H)	C[3,5](C[3,5]C[3,5]C[5,6]O[5])(C[3,5]C[3,5]C[5]H)(C[5]C[5]H)(CC3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[3,5]C[3,5]2C[5])(CH3)3	C[5](C[3,5]C[3,5]2C)(C[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	119.1060	0.464	2	119.1060	0.215	2	119.1060	0.215	2	119.1060	0.215	2	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3,5]	C	C[5]	6:4:3:4:	4:1:1:1:	4:3:4:	Ga[3]-6:C[3,5]-4:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[5]-3:C-4:	C[3,5](Ga[3]C[3,5]Fe2SS)(C[3,5]Ga[3]C[5]C)(C[5]C[5]C)(CH3)	C(C[3,5]C[3,5]Ga[3]C[5])(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3)	C[3,5](Ga[3]C[3,5]Fe2SS)(C[3,5]Ga[3]C[5]C)(C[5]C[5]C)(CH3){2|C<4>}	C(C[3,5]C[3,5]Ga[3]C[5])(H)3	C[5](C[3,5]C[3,5]Ga[3]C)(C[5]C[5]C)(CH3){2|Fe<6>,2|C<4>,2|S<3>}	126.8235	0.211	2	126.8235	0.045	2	126.8235	0.045	2	126.8235	0.045	2	122.2184	10.249	35	121.7163	11.558	39
486	490	818	0:SP3_SP2_SP3	C[3]	C	C[5]	3:4:4:4:	4:1:1:1:	4:3:2:	C[5]-3:C[3]-4:C[3]-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:N[5]-3:O[5]-2:	C[3](C[5]N[5]O[5])(C[3]C[3]HH)(C[3]C[3]HP)(CH3)	C(C[3]C[3]2C[5])(H)3	C[5](C[3]C[3]2C)(N[5]C[5]Pd)(O[5]C[5])	C[3](C[5]N[5]O[5])(C[3]C[3]HH)(C[3]C[3]HP)(CH3){1|Pd<4>,2|C<4>}	C(C[3]C[3]2C[5])(H)3	C[5](C[3]C[3]2C)(N[5]C[5]Pd)(O[5]C[5]){1|C<3>,1|P<4>,6|H<1>}	115.5790	0.000	1	115.5790	0.000	1	115.5790	0.000	1	115.5790	0.000	1	115.5790	0.000	1	121.7163	11.558	39
486	490	830	0:SP3_SP-NON_SP3	C[3]	C	F	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:C-4:F-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CN)(C[3]C[3]HH)(CCCH)(F)	C(C[3]C[3]2F)(CH3)2(H)	F(C[3]C[3]2C)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(CCCH)(F)	C(C[3]C[3]2F)(CH3)2(H)	F(C[3]C[3]2C)	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1	112.0150	0.000	1
486	490	849	0:SP3_SP3_SP3	C[3,6]	C	P[6]	4:4:4:4:	4:4:1:1:	3:4:3:3:	P[6]-4:C[3,6]-4:C[3]-4:C-4:	C[3,6]-4:C-4:H-1:H-1:	C[6,6a]-3:C[3,6]-4:C[6a]-3:C[6a]-3:	C[3,6](P[6]C[6,6a]C[6a]2)(C[3,6]C[3]S[6]N)(C[3]C[3,6]CH)(CCHH)	C(C[3,6]C[3,6]C[3]P[6])(CH3)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)2	C[3,6](P[6]C[6,6a]C[6a]2)(C[3,6]C[3]S[6]N)(C[3]C[3,6]CH)(CCHH){6|C<3>}	C(C[3,6]C[3,6]C[3]P[6])(CH3)(H)2	P[6](C[6,6a]C[6,6a]C[6a])(C[3,6]C[3,6]C[3]C)(C[6a]C[6a]2)2{1|C<4>,1|N<3>,1|S<2>,6|C<3>,6|H<1>}	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1	116.8410	0.000	1
486	490	852	0:SP3_SP3_SP3	C[3,3,5]	C	P[3,5,5]	3:3:4:4:	4:4:4:4:	4:4:3:	P[3,5,5]-3:P[3,5,5]-3:C[3,3,5]-4:C-4:	C[3,3,5]-4:C-4:C-4:C-4:	C[3,3,5]-4:C[3,3,5]-4:P[4,5,5]-3:	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3)	C(C[3,3,5]C[3,3,5]P[3,5,5]2)(CH3)3	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(P[4,5,5]C[4,5,5]C[4])	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3){1|P<4>,2|C<4>}	C(C[3,3,5]C[3,3,5]P[3,5,5]2)(CH3)3	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(P[4,5,5]C[4,5,5]C[4]){1|H<1>,1|P<4>,2|C<4>}	126.8290	0.214	2	126.8290	0.046	2	126.8290	0.046	2	126.8290	0.046	2	127.5087	0.634	4	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,3,5]	C	P[3,5,5]	3:3:4:4:	4:4:4:4:	4:4:4:	P[3,5,5]-3:P[3,5,5]-3:C[3,3,5]-4:C-4:	C[3,3,5]-4:C-4:C-4:C-4:	C[3,3,5]-4:C[3,3,5]-4:C[4,5,5]-4:	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3)	C(C[3,3,5]C[3,3,5]P[3,5,5]2)(CH3)3	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(C[4,5,5]P[4,5,5]P[4]C)	C[3,3,5](P[3,5,5]C[3,3,5]C[4,5,5])(P[3,5,5]C[3,3,5]P[4,5,5])(C[3,3,5]P[3,5,5]2C)(CC3){1|P<4>,2|C<4>}	C(C[3,3,5]C[3,3,5]P[3,5,5]2)(CH3)3	P[3,5,5](C[3,3,5]C[3,3,5]P[3,5,5]C)2(C[4,5,5]P[4,5,5]P[4]C){1|C<4>,1|H<1>,1|O<2>}	128.1885	0.093	2	128.1885	0.009	2	128.1885	0.009	2	128.1885	0.009	2	127.5087	0.634	4	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,3]	C	P[3]	3:3:4:4:	4:4:4:4:	4:4:4:	P[3]-3:P[3]-3:C[3,3]-4:C-4:	C[3,3]-4:C-4:C-4:C-4:	C[3,3]-4:C[3,3]-4:C[6]-4:	C[3,3](P[3]C[3,3]C[6])2(C[3,3]P[3]2C)(CC3)	C(C[3,3]C[3,3]P[3]2)(CH3)3	P[3](C[3,3]C[3,3]P[3]C)2(C[6]C[6]2H)	C[3,3](P[3]C[3,3]C[6])2(C[3,3]P[3]2C)(CC3){2|H<1>,4|C<4>}	C(C[3,3]C[3,3]P[3]2)(CH3)3	P[3](C[3,3]C[3,3]P[3]C)2(C[6]C[6]2H){3|C<4>,4|H<1>}	124.2223	1.055	4	124.2223	1.113	4	124.2223	1.113	4	124.2223	1.113	4	124.2223	1.113	4	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,3x5]	C	P[3,5,5]	4:3:3:4:	4:4:4:4:	4:4:2:	C[3,3x5]-4:P[3,5,5]-3:P[4,3x5]-3:C-4:	C[3,3x5]-4:C-4:C-4:C-4:	C[3,3x5]-4:C[3,3x5]-4:Se[5,5]-2:	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[3,5,5]C[3,3x5]Se[5,5])(P[4,3x5]C[4,3x5]Se[4,5])(CC3)	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5])	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[3,5,5]C[3,3x5]Se[5,5])(P[4,3x5]C[4,3x5]Se[4,5])(CC3){1|Se<1>,1|C<4>}	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5]){1|Se<1>,1|Se<2>,1|C<4>}	119.2590	0.000	1	119.2590	0.000	1	119.2590	0.000	1	119.2590	0.000	1	118.7090	0.605	2	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,3x5]	C	P[3,5,5]	4:4:3:4:	4:4:4:4:	4:4:2:	C[3,3x5]-4:P[4,3x5]-4:P[3,5,5]-3:C-4:	C[3,3x5]-4:C-4:C-4:C-4:	C[3,3x5]-4:C[3,3x5]-4:Se[5,5]-2:	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[4,3x5]C[4,3x5]Se[4,5]Se)(P[3,5,5]C[3,3x5]Se[5,5])(CC3)	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5])	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[4,3x5]C[4,3x5]Se[4,5]Se)(P[3,5,5]C[3,3x5]Se[5,5])(CC3){1|C<4>}	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	P[3,5,5](C[3,3x5]C[3,3x5]P[4,3x5]C)2(Se[5,5]C[4,3x5]){1|Se<1>,1|Se<2>,1|C<4>}	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	118.7090	0.605	2	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,4,4]	C	P[3,3,4]	3:3:3:4:	4:4:4:4:	4:4:3:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-4:	C[3,4,4]-4:C-4:C-4:C-4:	C[3,4,4]-4:C[3,4,4]-4:P[3,3,4]-3:	C[3,4,4](P[3,3,4]C[3,4,4]P[3,3,4])2(P[4,4]C[3,4,4]P)(CC3)	C(C[3,4,4]P[3,3,4]2P[4,4])(CH3)3	P[3,3,4](C[3,4,4]P[3,3,4]P[4,4]C)2(P[3,3,4]C[3,4,4]2)	C[3,4,4](P[3,3,4]C[3,4,4]P[3,3,4])2(P[4,4]C[3,4,4]P)(CC3){1|C<4>}	C(C[3,4,4]P[3,3,4]2P[4,4])(CH3)3	P[3,3,4](C[3,4,4]P[3,3,4]P[4,4]C)2(P[3,3,4]C[3,4,4]2){1|P<4>}	124.6715	2.054	4	124.6715	4.219	4	124.6715	4.219	4	124.6715	4.219	4	124.6715	4.219	4	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,4,5,6]	C	P[3,4,4]	3:3:4:4:	4:4:4:4:	4:3:4:	P[3,4,4]-3:P[3,4,5,6]-3:P[4,5,5,6]-4:C-4:	C[3,4,5,6]-4:C-4:C-4:C-4:	C[3,4,5,6]-4:P[3,4,5,6]-3:C[4,4,5,5]-4:	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3)	C(C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]P[3,4,4])(CH3)3	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C)	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3){1|C<3>,2|C<4>}	C(C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]P[3,4,4])(CH3)3	P[3,4,4](C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]C)(P[3,4,5,6]C[3,4,5,6]P[4,5,5,6])(C[4,4,5,5]P[4,5,5,6]2C){1|H<1>,2|C<3>}	126.5750	0.000	1	126.5750	0.000	1	126.5750	0.000	1	126.5750	0.000	1	126.5750	0.000	1	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,4,5,6]	C	P[3,4,5,6]	3:3:4:4:	4:4:4:4:	4:3:3:	P[3,4,4]-3:P[3,4,5,6]-3:P[4,5,5,6]-4:C-4:	C[3,4,5,6]-4:C-4:C-4:C-4:	C[3,4,5,6]-4:P[3,4,4]-3:P[4,5,5,6]-3:	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3)	C(C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]P[3,4,4])(CH3)3	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6])	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3){1|C<3>,2|C<4>}	C(C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]P[3,4,4])(CH3)3	P[3,4,5,6](C[3,4,5,6]P[4,5,5,6]P[3,4,4]C)(P[3,4,4]C[3,4,5,6]C[4,4,5,5])(P[4,5,5,6]C[4,4,5,5]C[5,6]){1|C<3>,1|H<1>,2|C<4>}	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	119.8510	0.000	1	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,4,6,6]	C	P[3,4,5]	3:3:3:4:	4:4:4:4:	4:3:4:	P[3,4,5]-3:P[3,5,6,6]-3:P[4,3x6]-3:C-4:	C[3,4,6,6]-4:C-4:C-4:C-4:	C[3,4,6,6]-4:P[3,5,6,6]-3:C[4,5,6,6]-4:	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3)	C(C[3,4,6,6]P[3,5,6,6]P[3,4,5]P[4,3x6])(CH3)3	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C)	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3){1|P<2>,1|P<4>,3|C<4>}	C(C[3,4,6,6]P[3,5,6,6]P[3,4,5]P[4,3x6])(CH3)3	P[3,4,5](C[3,4,6,6]P[3,5,6,6]P[4,3x6]C)(P[3,5,6,6]C[3,4,6,6]C[5,3x6])(C[4,5,6,6]P[4,3x6]P[5,6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>,1|P<2>}	121.8900	0.000	1	121.8900	0.000	1	121.8900	0.000	1	121.8900	0.000	1	121.8900	0.000	1	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,4,6,6]	C	P[3,5,6,6]	3:3:3:4:	4:4:4:4:	3:4:4:	P[3,4,5]-3:P[3,5,6,6]-3:P[4,3x6]-3:C-4:	C[3,4,6,6]-4:C-4:C-4:C-4:	P[3,4,5]-3:C[3,4,6,6]-4:C[5,3x6]-4:	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3)	C(C[3,4,6,6]P[3,5,6,6]P[3,4,5]P[4,3x6])(CH3)3	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C)	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3){1|P<2>,1|P<4>,3|C<4>}	C(C[3,4,6,6]P[3,5,6,6]P[3,4,5]P[4,3x6])(CH3)3	P[3,5,6,6](P[3,4,5]C[3,4,6,6]C[4,5,6,6])(C[3,4,6,6]P[3,4,5]P[4,3x6]C)(C[5,3x6]P[5,6,6]P[6,6]C){1|Cl<1>,1|C<3>,1|C<4>,1|O<1>}	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	118.2240	0.000	1	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,5,5,6]	C	P[3,5,5,6]	4:3:3:4:	4:4:4:4:	4:4:4:	P[3,5,5]-4:P[3,5,5,6]-3:P[3x5,6]-3:C-4:	C[3,5,5,6]-4:C-4:C-4:C-4:	C[3,5,5,6]-4:P[3,5,5]-4:C[3x5,6]-4:	C[3,5,5,6](P[3,5,5]P[3,5,5,6]P[5,5]Cr)(P[3,5,5,6]C[3x5,6]P[3,5,5])(P[3x5,6]C[4x5]C[5,6])(CC3)	C(C[3,5,5,6]P[3,5,5,6]P[3,5,5]P[3x5,6])(CH3)3	P[3,5,5,6](C[3,5,5,6]P[3,5,5]P[3x5,6]C)(P[3,5,5]C[3,5,5,6]P[5,5]Cr)(C[3x5,6]C[4x5]P[5,6]C)	C[3,5,5,6](P[3,5,5]P[3,5,5,6]P[5,5]Cr)(P[3,5,5,6]C[3x5,6]P[3,5,5])(P[3x5,6]C[4x5]C[5,6])(CC3){1|O<1>,1|P<2>,3|C<4>}	C(C[3,5,5,6]P[3,5,5,6]P[3,5,5]P[3x5,6])(CH3)3	P[3,5,5,6](C[3,5,5,6]P[3,5,5]P[3x5,6]C)(P[3,5,5]C[3,5,5,6]P[5,5]Cr)(C[3x5,6]C[4x5]P[5,6]C){1|C<3>,1|C<4>,1|O<1>}	119.6190	0.000	1	119.6190	0.000	1	119.6190	0.000	1	119.6190	0.000	1	119.6190	0.000	1	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,5,6,6]	C	P[3,5,6,6]	3:4:3:4:	4:4:4:4:	4:4:3:	P[3,5,6,6]-3:P[5,5,6,6]-4:P[3,6,6]-3:C-4:	C[3,5,6,6]-4:C-4:C-4:C-4:	C[3,5,6,6]-4:C[5,5,6,6]-4:P[3,6,6]-3:	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3)	C(C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]P[3,6,6])(CH3)3	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6])	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3){1|P<2>,1|P<3>,4|C<4>}	C(C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]P[3,6,6])(CH3)3	P[3,5,6,6](C[3,5,6,6]P[5,5,6,6]P[3,6,6]C)(C[5,5,6,6]C[5,5,6,6]P[5,6]C)(P[3,6,6]C[3,5,6,6]C[6,6]){1|C<3>,1|P<2>,2|C<4>,2|W<6>}	117.2650	0.000	1	117.2650	0.000	1	117.2650	0.000	1	117.2650	0.000	1	117.2650	0.000	1	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,5,6,6]	C	P[3,6,6]	3:4:3:4:	4:4:4:4:	4:3:3:	P[3,5,6,6]-3:P[5,5,6,6]-4:P[3,6,6]-3:C-4:	C[3,5,6,6]-4:C-4:C-4:C-4:	C[3,5,6,6]-4:P[3,5,6,6]-3:C[6,6]-3:	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3)	C(C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]P[3,6,6])(CH3)3	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C)	C[3,5,6,6](P[3,5,6,6]C[5,5,6,6]P[3,6,6])(P[5,5,6,6]C[5,5,6,6]C[5,6]W)(P[3,6,6]P[3,5,6,6]C[6,6])(CC3){1|P<2>,1|P<3>,4|C<4>}	C(C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]P[3,6,6])(CH3)3	P[3,6,6](C[3,5,6,6]P[3,5,6,6]P[5,5,6,6]C)(P[3,5,6,6]C[3,5,6,6]C[5,5,6,6])(C[6,6]P[6,6]C){1|C<3>,1|P<3>,1|W<6>,2|C<4>}	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	110.3840	0.000	1	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,5]	C	P[3,5,5]	3:3:3:4:	4:4:4:4:	4:4:3:	P[3,5,5]-3:P[3,5]-3:P[4,5]-3:C-4:	C[3,5]-4:C-4:C-4:C-4:	C[3,5]-4:C[5,5]-4:P[3,5]-3:	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3)	C(C[3,5]P[3,5,5]P[3,5]P[4,5])(CH3)3	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5])	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3){1|C<3>,1|P<2>,3|C<4>}	C(C[3,5]P[3,5,5]P[3,5]P[4,5])(CH3)3	P[3,5,5](C[3,5]P[3,5]P[4,5]C)(C[5,5]P[4,5]P[5]C)(P[3,5]C[3,5]C[5]){1|C<4>,2|C<3>}	112.1130	0.107	2	112.1130	0.012	2	112.1130	0.012	2	112.1130	0.012	2	112.1130	0.012	2	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,5]	C	P[3,5]	3:3:3:4:	4:4:4:4:	4:3:3:	P[3,5,5]-3:P[3,5]-3:P[4,5]-3:C-4:	C[3,5]-4:C-4:C-4:C-4:	C[3,5]-4:P[3,5,5]-3:C[5]-3:	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3)	C(C[3,5]P[3,5,5]P[3,5]P[4,5])(CH3)3	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C)	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3){1|C<3>,1|P<2>,3|C<4>}	C(C[3,5]P[3,5,5]P[3,5]P[4,5])(CH3)3	P[3,5](C[3,5]P[3,5,5]P[4,5]C)(P[3,5,5]C[3,5]C[5,5])(C[5]P[5]C){1|C<3>,1|C<4>,1|P<3>}	110.9870	1.232	2	110.9870	1.517	2	110.9870	1.517	2	110.9870	1.517	2	110.9870	1.517	2	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3,6]	C	P[3,5]	4:3:3:4:	4:1:1:1:	4:4:3:	C[3,5,6]-4:P[3,5]-3:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:C[5]-3:	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3)	C(C[3,6]C[3,5,6]P[3,5]C[6])(H)3	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C)	C[3,6](C[3,5,6]N[5,6]P[3,5]C[6])(P[3,5]C[3,5,6]C[5])(C[6]C[6]H)(CH3){3|C<3>,3|C<4>}	C(C[3,6]C[3,5,6]P[3,5]C[6])(H)3	P[3,5](C[3,5,6]C[3,6]N[5,6]C[6])(C[3,6]C[3,5,6]C[6]C)(C[5]C[5,6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.8420	0.000	1	119.8420	0.000	1	119.8420	0.000	1	119.8420	0.000	1	119.8420	0.000	1	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3]	C	P[3,5]	3:3:4:1:	4:4:4:4:	3:4:3:	P[3,5]-3:P[3,5]-3:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	P[3,5]-3:C[3]-4:C[5]-3:	C[3](P[3,5]P[3,5]C[5])2(CC3)(H)	C(C[3]P[3,5]2H)(CH3)3	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C)	C[3](P[3,5]P[3,5]C[5])2(CC3)(H){1|H<1>,1|P<2>,2|C<4>}	C(C[3]P[3,5]2H)(CH3)3	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]C){1|C<4>,1|H<1>}	120.7260	0.000	1	120.7260	0.000	1	120.7260	0.000	1	120.7260	0.000	1	120.2030	0.547	2	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3]	C	P[3,5]	3:3:4:1:	4:4:4:4:	3:4:4:	P[3,5]-3:P[3,5]-3:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	P[3,5]-3:C[3]-4:C[5]-4:	C[3](P[3,5]P[3,5]C[5])2(CC3)(H)	C(C[3]P[3,5]2H)(CH3)3	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH)	C[3](P[3,5]P[3,5]C[5])2(CC3)(H){1|H<1>,1|P<2>,2|C<4>}	C(C[3]P[3,5]2H)(CH3)3	P[3,5](P[3,5]C[3]C[5])(C[3]P[3,5]CH)(C[5]P[5]CH){1|C<4>}	119.6800	0.000	1	119.6800	0.000	1	119.6800	0.000	1	119.6800	0.000	1	120.2030	0.547	2	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3]	C	P[3]	3:3:3:4:	4:4:4:4:	3:4:3:	Si[3]-3:P[3]-3:Si-3:C-4:	C[3]-4:C-4:C-4:C-4:	Si[3]-3:C[3]-4:Si-3:	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3)	C(C[3]Si[3]P[3]Si)(CH3)3	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2)	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3){2|N<3>}	C(C[3]Si[3]P[3]Si)(CH3)3	P[3](Si[3]C[3]C[5])(C[3]Si[3]SiC)(SiC[6a]2){2|N<3>}	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	117.4425	45.745	2	120.6056	30.790	30
486	490	852	0:SP3_SP3_SP3	C[3]	C	P[3]	4:3:4:1:	4:4:4:4:	4:4:4:	P[3]-4:P[3]-3:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:P[3]-4:C-4:	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(C[3]P[3]2H)(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(C[3]P[3]2H)(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]CC)(CC3)	122.2250	0.000	1	122.2250	0.000	1	122.2250	0.000	1	122.2250	0.000	1	117.4425	45.745	2	120.6056	30.790	30
486	490	854	0:SP3_SP3_SP3	C[3]	C	N[6]	4:4:4:4:	4:4:1:1:	4:4:4:1:	C[3]-4:C[3]-4:N[6]-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[6]-4:C[6]-4:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]FF)(N[6]C[6]2H)(CCHH)	C(C[3]C[3]2N[6])(CCHH)(H)2	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H)	C[3](C[3]C[3]CH)(C[3]C[3]FF)(N[6]C[6]2H)(CCHH){2|C<4>,4|H<1>}	C(C[3]C[3]2N[6])(CCHH)(H)2	N[6](C[3]C[3]2C)(C[6]C[6]HH)2(H){1|C<4>,1|O<2>,2|F<1>,5|H<1>}	117.5745	0.286	2	117.5745	0.082	2	117.5745	0.082	2	117.5745	0.082	2	117.5745	0.082	2	117.5745	0.082	2
486	490	865	0:SP3_SP3_SP3	C[3]	C	P[3]	4:3:4:1:	4:4:4:4:	4:3:4:4:	P[3]-4:P[3]-3:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:P[3]-3:C-4:C-4:	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(C[3]P[3]2H)(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(C[3]P[3]2H)(CH3)3	P[3](C[3]P[3]CH)(P[3]C[3]C)(CCHH)(CC3)	129.7080	0.000	1	129.7080	0.000	1	129.7080	0.000	1	129.7080	0.000	1	121.3907	52.258	3	121.3907	52.258	3
486	490	865	0:SP3_SP3_SP3	C[3]	C	P[3]	4:4:4:1:	4:2:1:1:	3:3:4:4:	P[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CHHO)(H)	C(C[3]C[3]P[3]H)(OSi)(H)2	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CHHO)(H){4|C<3>}	C(C[3]C[3]P[3]H)(OSi)(H)2	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2{4|C<3>,4|C<4>}	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	121.3907	52.258	3	121.3907	52.258	3
486	490	865	0:SP3_SP3_SP3	C[3]	C	P[3]	4:4:4:1:	4:4:1:1:	3:3:4:4:	P[3]-4:C[3]-4:C-4:H-1:	C[3]-4:B-4:H-1:H-1:	C[6a]-3:C[6a]-3:C[3]-4:C[3]-4:	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CBHH)(H)	C(C[3]C[3]P[3]H)(BC[6a]3)(H)2	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CBHH)(H){4|C<3>}	C(C[3]C[3]P[3]H)(BC[6a]3)(H)2	P[3](C[6a]C[6a]2)2(C[3]C[3]CH)2{4|C<3>,4|C<4>}	117.8440	0.000	1	117.8440	0.000	1	117.8440	0.000	1	117.8440	0.000	1	121.3907	52.258	3	121.3907	52.258	3
486	490	869	0:SP3_SP2_SP3	C[3]	C	Si[3]	3:3:3:4:	4:4:4:4:	4:3:3:	Si[3]-3:P[3]-3:Si-3:C-4:	C[3]-4:C-4:C-4:C-4:	C[3]-4:P[3]-3:C[5]-3:	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3)	C(C[3]Si[3]P[3]Si)(CH3)3	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2)	C[3](Si[3]C[5]P[3])(P[3]Si[3]Si)(SiC[6a]2)(CC3){2|N<3>}	C(C[3]Si[3]P[3]Si)(CH3)3	Si[3](C[3]P[3]SiC)(P[3]C[3]Si)(C[5]N[5]2){2|C<3>,2|C<4>}	127.4510	0.000	1	127.4510	0.000	1	127.4510	0.000	1	127.4510	0.000	1	127.4510	0.000	1	127.4510	0.000	1
486	490	872	0:SP3_SP3_SP3	C[3,4,5]	C	Si[3,4,6]	4:4:4:4:	4:1:1:1:	4:4:4:3:	Si[3,4,6]-4:C[3,5,6]-4:C[4,5,6]-4:C-4:	C[3,4,5]-4:H-1:H-1:H-1:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	C[3,4,5](Si[3,4,6]C[3,5,6]Si[4,6]N)(C[3,5,6]Si[3,4,6]C[5,6]C)(C[4,5,6]Si[4,6]C[5,6]C)(CH3)	C(C[3,4,5]Si[3,4,6]C[3,5,6]C[4,5,6])(H)3	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	C[3,4,5](Si[3,4,6]C[3,5,6]Si[4,6]N)(C[3,5,6]Si[3,4,6]C[5,6]C)(C[4,5,6]Si[4,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	C(C[3,4,5]Si[3,4,6]C[3,5,6]C[4,5,6])(H)3	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	134.4980	0.000	1	134.4980	0.000	1	134.4980	0.000	1	134.4980	0.000	1	134.4980	0.000	1	125.5835	158.937	2
486	490	872	0:SP3_SP3_SP3	C[3,5,6]	C	Si[3,4,6]	4:4:3:4:	4:1:1:1:	4:4:4:3:	C[3,4,5]-4:Si[3,4,6]-4:C[5,6]-3:C-4:	C[3,5,6]-4:H-1:H-1:H-1:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3)	C(C[3,5,6]Si[3,4,6]C[3,4,5]C[5,6])(H)3	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	C[3,5,6](C[3,4,5]Si[3,4,6]C[4,5,6]C)(Si[3,4,6]C[3,4,5]Si[4,6]N)(C[5,6]C[5,6]C)(CH3){1|Cl<1>,1|N<3>,2|C<4>}	C(C[3,5,6]Si[3,4,6]C[3,4,5]C[5,6])(H)3	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	116.6690	0.000	1	125.5835	158.937	2
486	490	880	0:SP3_SP3_SP3	C[3]	C	Si	4:4:4:4:	4:4:4:4:	4:4:4:2:	C[3]-4:C[3]-4:Si-4:C-4:	C[3]-4:C-4:C-4:C-4:	C[3]-4:Si-4:Si-4:O-2:	C[3](C[3]C[3]CH)2(SiSi2O)(CC3)	C(C[3]C[3]2Si)(CH3)3	Si(C[3]C[3]2C)(SiC3)2(OSi)	C[3](C[3]C[3]CH)2(SiSi2O)(CC3)	C(C[3]C[3]2Si)(CH3)3	Si(C[3]C[3]2C)(SiC3)2(OSi)	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1
486	490	882	0:SP3_SP3_SP3	C[3,3x5]	C	P[4,3x5]	4:3:3:4:	4:4:4:4:	4:4:2:	C[3,3x5]-4:P[3,5,5]-3:P[4,3x5]-3:C-4:	C[3,3x5]-4:C-4:C-4:C-4:	C[3,3x5]-4:C[4,3x5]-4:Se[4,5]-2:	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[3,5,5]C[3,3x5]Se[5,5])(P[4,3x5]C[4,3x5]Se[4,5])(CC3)	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	P[4,3x5](C[3,3x5]C[3,3x5]P[3,5,5]C)(C[4,3x5]P[4,3x5]Se[5,5]C)(Se[4,5]P[4,3x5])	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[3,5,5]C[3,3x5]Se[5,5])(P[4,3x5]C[4,3x5]Se[4,5])(CC3){1|Se<1>,1|C<4>}	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	P[4,3x5](C[3,3x5]C[3,3x5]P[3,5,5]C)(C[4,3x5]P[4,3x5]Se[5,5]C)(Se[4,5]P[4,3x5]){1|Se<1>,1|C<4>}	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	118.8225	87.850	6
486	490	882	0:SP3_SP3_SP3	C[3,4,4]	C	P[4,4]	3:3:3:4:	4:4:4:4:	4:4:4:	P[3,3,4]-3:P[3,3,4]-3:P[4,4]-3:C-4:	C[3,4,4]-4:C-4:C-4:C-4:	C[3,4,4]-4:C[3,4,4]-4:P-4:	C[3,4,4](P[3,3,4]C[3,4,4]P[3,3,4])2(P[4,4]C[3,4,4]P)(CC3)	C(C[3,4,4]P[3,3,4]2P[4,4])(CH3)3	P[4,4](C[3,4,4]P[3,3,4]2C)2(PC3)	C[3,4,4](P[3,3,4]C[3,4,4]P[3,3,4])2(P[4,4]C[3,4,4]P)(CC3){1|C<4>}	C(C[3,4,4]P[3,3,4]2P[4,4])(CH3)3	P[4,4](C[3,4,4]P[3,3,4]2C)2(PC3)	129.7010	0.168	2	129.7010	0.028	2	129.7010	0.028	2	129.7010	0.028	2	129.7010	0.028	2	118.8225	87.850	6
486	490	882	0:SP3_SP3_SP3	C[3,4,6,6]	C	P[4,3x6]	3:3:3:4:	4:4:4:4:	4:4:3:	P[3,4,5]-3:P[3,5,6,6]-3:P[4,3x6]-3:C-4:	C[3,4,6,6]-4:C-4:C-4:C-4:	C[3,4,6,6]-4:C[4,5,6,6]-4:C[6,6]-3:	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3)	C(C[3,4,6,6]P[3,5,6,6]P[3,4,5]P[4,3x6])(CH3)3	P[4,3x6](C[3,4,6,6]P[3,5,6,6]P[3,4,5]C)(C[4,5,6,6]P[3,4,5]P[5,6,6]C)(C[6,6]P[6,6]C)	C[3,4,6,6](P[3,4,5]C[4,5,6,6]P[3,5,6,6])(P[3,5,6,6]C[5,3x6]P[3,4,5])(P[4,3x6]C[4,5,6,6]C[6,6])(CC3){1|P<2>,1|P<4>,3|C<4>}	C(C[3,4,6,6]P[3,5,6,6]P[3,4,5]P[4,3x6])(CH3)3	P[4,3x6](C[3,4,6,6]P[3,5,6,6]P[3,4,5]C)(C[4,5,6,6]P[3,4,5]P[5,6,6]C)(C[6,6]P[6,6]C){1|Cl<1>,1|C<4>,1|O<1>}	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	121.2910	0.000	1	118.8225	87.850	6
486	490	882	0:SP3_SP3_SP3	C[3,5]	C	P[4,5]	3:3:3:4:	4:4:4:4:	4:3:3:	P[3,5,5]-3:P[3,5]-3:P[4,5]-3:C-4:	C[3,5]-4:C-4:C-4:C-4:	C[3,5]-4:P[4,5]-3:C[4]-3:	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3)	C(C[3,5]P[3,5,5]P[3,5]P[4,5])(CH3)3	P[4,5](C[3,5]P[3,5,5]P[3,5]C)(P[4,5]C[5,5]C[4])(C[4]C[4]C)	C[3,5](P[3,5,5]C[5,5]P[3,5])(P[3,5]P[3,5,5]C[5])(P[4,5]P[4,5]C[4])(CC3){1|C<3>,1|P<2>,3|C<4>}	C(C[3,5]P[3,5,5]P[3,5]P[4,5])(CH3)3	P[4,5](C[3,5]P[3,5,5]P[3,5]C)(P[4,5]C[5,5]C[4])(C[4]C[4]C){1|C<3>,1|P<2>,2|C<4>}	110.8915	0.835	2	110.8915	0.697	2	110.8915	0.697	2	110.8915	0.697	2	110.8915	0.697	2	118.8225	87.850	6
486	490	893	0:SP3_SP2_SP3	C[3]	C	O	4:4:4:2:	4:3:3:1:	4:2:	C[3]-4:C[3]-4:C-4:O-2:	C[3]-4:C[6]-3:C-3:H-1:	C[3]-4:N-2:	C[3](C[3]C[3]HH)2(CC[6]CH)(ON)	C(C[3]C[3]2O)(C[6]C[6]2)(COO)(H)	O(C[3]C[3]2C)(NC)	C[3](C[3]C[3]HH)2(CC[6]CH)(ON)	C(C[3]C[3]2O)(C[6]C[6]2)(COO)(H)	O(C[3]C[3]2C)(NC)	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	110.7230	0.000	1	111.9093	1.347	3	111.9093	1.347	3
486	490	893	0:SP3_SP2_SP3	C[3]	C	O	4:4:4:2:	4:4:1:1:	4:3:	C[3]-4:C[3]-4:C-4:O-2:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-3:	C[3](C[3]C[3]CO)(C[3]C[3]HH)(CCHH)(OC)	C(C[3]C[3]2O)(CCHH)(H)2	O(C[3]C[3]2C)(CCO)	C[3](C[3]C[3]CO)(C[3]C[3]HH)(CCHH)(OC)	C(C[3]C[3]2O)(CCHH)(H)2	O(C[3]C[3]2C)(CCO)	112.5025	0.763	2	112.5025	0.582	2	112.5025	0.582	2	112.5025	0.582	2	111.9093	1.347	3	111.9093	1.347	3
486	490	893	0:SP3_SP3_SP3	C[3]	C	O	4:2:4:2:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:O-2:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CF3)(OC)	C(C[3]C[3]O[3]O)(F)3	O(C[3]C[3]O[3]C)(CCHH)	C[3](C[3]O[3]CH)(O[3]C[3])(CF3)(OC)	C(C[3]C[3]O[3]O)(F)3	O(C[3]C[3]O[3]C)(CCHH)	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	107.6370	0.000	1	112.0855	7.137	6	112.0855	7.137	6
486	490	893	0:SP3_SP3_SP3	C[3]	C	O	4:3:4:2:	4:4:2:1:	4:4:	C[3]-4:C[3]-3:C-4:O-2:	C[3]-4:C[6]-4:O-2:H-1:	C[3]-4:C-4:	C[3](C[3]C[3]HH)(C[3]C[3]C)(CC[6]HO)(OC)	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	O(C[3]C[3]2C)(CH3)	C[3](C[3]C[3]HH)(C[3]C[3]C)(CC[6]HO)(OC)	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	O(C[3]C[3]2C)(CH3)	116.0160	0.000	1	116.0160	0.000	1	116.0160	0.000	1	116.0160	0.000	1	112.0855	7.137	6	112.0855	7.137	6
486	490	893	0:SP3_SP3_SP3	C[3]	C	O	4:4:4:2:	4:1:1:1:	4:1:	C[3]-4:C[3]-4:C-4:O-2:	C[3]-4:H-1:H-1:H-1:	C[3]-4:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CH3)(OH)	C(C[3]C[3]2O)(H)3	O(C[3]C[3]2C)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CH3)(OH)	C(C[3]C[3]2O)(H)3	O(C[3]C[3]2C)(H)	111.9485	0.285	2	111.9485	0.081	2	111.9485	0.081	2	111.9485	0.081	2	112.0855	7.137	6	112.0855	7.137	6
486	490	893	0:SP3_SP3_SP3	C[3]	C	O	4:4:4:2:	4:4:2:1:	4:1:	C[3]-4:C[3]-4:C-4:O-2:	C[3]-4:C-4:O-2:H-1:	C[3]-4:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(OH)	C(C[3]C[3]2O)(CCCH)(OH)(H)	O(C[3]C[3]2C)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(OH)	C(C[3]C[3]2O)(CCCH)(OH)(H)	O(C[3]C[3]2C)(H)	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	112.4815	0.016	2	112.0855	7.137	6	112.0855	7.137	6
486	490	893	0:SP3_SP3_SP3	C[3]	C	O	4:4:4:2:	4:4:2:1:	4:1:	C[3]-4:C[3]-4:C-4:O-2:	C[3]-4:C[6]-4:O-2:H-1:	C[3]-4:H-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6]HO)(OH)	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	O(C[3]C[3]2C)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6]HO)(OH)	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	O(C[3]C[3]2C)(H)	112.3920	0.000	1	112.3920	0.000	1	112.3920	0.000	1	112.4815	0.016	2	112.0855	7.137	6	112.0855	7.137	6
486	490	902	0:SP3_SP2_SP3	C[3,5,6]	C	C[3]	4:4:3:4:	4:1:1:1:	4:4:3:	C[3,5,6]-4:C[5,5,6]-4:C[3]-3:C-4:	C[3,5,6]-4:F-1:F-1:F-1:	C[3,5,6]-4:C[3,5,6]-4:C-3:	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]C)(CF3)	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(F)3	C[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2(COO)	C[3,5,6](C[3,5,6]C[5,5,6]C[3]C)(C[5,5,6]C[5,6]O[5,5]C)(C[3]C[3,5,6]C)(CF3){1|C<2>,1|C<4>}	C(C[3,5,6]C[3,5,6]C[5,5,6]C[3])(F)3	C[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2(COO){1|O<2>,2|C<2>,2|C<4>}	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3,6]	C	C[3,6]	3:4:2:4:	4:1:1:1:	4:4:2:	C[3,6]-3:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O[3]-2:	C[3,6](C[3,6]C[6]O[3])(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])	C[3,6](C[3,6]C[6]O[3])(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6]){2|C<4>,3|H<1>}	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	3:2:4:1:	4:1:1:1:	3:4:2:	C[3]-3:N[3]-2:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[6a]-3:C[3]-4:N[3]-2:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CF3)(H)	C(C[3]C[3]N[3]H)(F)3	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3])	C[3](C[3]C[6a]N[3])(N[3]C[3])(CF3)(H){2|C<3>}	C(C[3]C[3]N[3]H)(F)3	C[3](C[6a]C[6a]2)(C[3]N[3]CH)(N[3]C[3]){2|C<3>,2|H<1>}	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	121.6530	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	3:2:4:1:	4:4:4:4:	4:3:2:	C[3]-3:O[3]-2:C-4:Br-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:C-3:O[3]-2:	C[3](C[3]O[3]C)(O[3]C[3])(CC3)(Br)	C(C[3]C[3]O[3]Br)(CH3)3	C[3](C[3]O[3]BrC)(CC[3x6]H)(O[3]C[3])	C[3](C[3]O[3]C)(O[3]C[3])(CC3)(Br)	C(C[3]C[3]O[3]Br)(CH3)3	C[3](C[3]O[3]BrC)(CC[3x6]H)(O[3]C[3])	126.9720	0.000	1	126.9720	0.000	1	126.9720	0.000	1	126.9720	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	3:3:4:1:	4:2:1:1:	3:4:3:	C[3]-3:C[3]-3:C-4:H-1:	C[3]-4:N-2:H-1:H-1:	C[3]-3:C[3]-4:C-3:	C[3](C[3]C[3]C[6])(C[3]C[3]C)(CHHN)(H)	C(C[3]C[3]2H)(NS)(H)2	C[3](C[3]C[3]C[6])(C[3]C[3]CH)(CCC)	C[3](C[3]C[3]C[6])(C[3]C[3]C)(CHHN)(H){2|C<4>}	C(C[3]C[3]2H)(NS)(H)2	C[3](C[3]C[3]C[6])(C[3]C[3]CH)(CCC){2|C<4>}	117.6750	0.000	1	117.6750	0.000	1	117.6750	0.000	1	117.6750	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	3:3:4:1:	4:2:1:1:	4:3:3:	C[3]-3:C[3]-3:C-4:H-1:	C[3]-4:N-2:H-1:H-1:	C[3]-4:C[3]-3:C[6]-3:	C[3](C[3]C[3]C[6])(C[3]C[3]C)(CHHN)(H)	C(C[3]C[3]2H)(NS)(H)2	C[3](C[3]C[3]CH)(C[3]C[3]C)(C[6]C[6]2)	C[3](C[3]C[3]C[6])(C[3]C[3]C)(CHHN)(H){2|C<4>}	C(C[3]C[3]2H)(NS)(H)2	C[3](C[3]C[3]CH)(C[3]C[3]C)(C[6]C[6]2){2|C<4>,4|H<1>}	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	3:3:4:1:	4:3:3:2:	4:3:3:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3]-4:N[3]-3:C-3:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCH)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCH)	121.9560	1.875	3	121.9560	3.515	3	122.2715	2.742	4	122.2715	2.742	4	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	3:3:4:1:	4:3:3:2:	4:3:3:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3]-4:N[3]-3:C-3:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHH)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHH)	123.2180	0.000	1	123.2180	0.000	1	122.2715	2.742	4	122.2715	2.742	4	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	3:3:4:4:	4:1:1:1:	3:4:3:	C[3]-3:C[3]-3:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-3:C[3]-4:C-3:	C[3](C[3]C[6a]C[3])(C[3]C[3]C)(CH3)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[6a]C[3])(C[3]C[3]CC)(CCH)	C[3](C[3]C[6a]C[3])(C[3]C[3]C)(CH3)2{2|C<3>}	C(C[3]C[3]2C)(H)3	C[3](C[3]C[6a]C[3])(C[3]C[3]CC)(CCH){2|C<3>}	119.1625	1.828	2	119.1625	3.341	2	119.1625	3.341	2	118.9938	1.162	4	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	3:3:4:4:	4:1:1:1:	3:4:3:	C[3]-3:C[3]-3:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[3]-4:C[3]-3:	C[3](C[3]C[6a]C[3])(C[3]C[3]C)(CH3)2	C(C[3]C[3]2C)(H)3	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]C)	C[3](C[3]C[6a]C[3])(C[3]C[3]C)(CH3)2{2|C<3>}	C(C[3]C[3]2C)(H)3	C[3](C[6a]C[6a]2)(C[3]C[3]CC)(C[3]C[3]C){2|C<3>,2|H<1>}	118.8250	0.173	2	118.8250	0.030	2	118.8250	0.030	2	118.9938	1.162	4	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	3:3:4:4:	4:4:1:1:	3:4:4:	C[3]-3:C[3]-3:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-3:C[5]-4:C[3]-4:	C[3](C[3]C[3]C[5])2(CCHH)2	C(C[3]C[3]2C)(CH3)(H)2	C[3](C[3]C[3]C[5])(C[5]C[5]2Fe)(C[3]C[3]CC)	C[3](C[3]C[3]C[5])2(CCHH)2{2|Fe<10>,4|C<4>}	C(C[3]C[3]2C)(CH3)(H)2	C[3](C[3]C[3]C[5])(C[5]C[5]2Fe)(C[3]C[3]CC){1|Fe<10>,2|H<1>,4|C<4>}	119.9207	2.568	4	119.9207	6.592	4	119.9207	6.592	4	119.9207	6.592	4	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	3:4:4:4:	4:1:1:1:	4:4:3:	C[3]-3:C[3]-4:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:C[6]-3:	C[3](C[3]C[3]C[6])(C[3]C[3]CC)(CH3)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CC)2(C[6]C[6]2)	C[3](C[3]C[3]C[6])(C[3]C[3]CC)(CH3)2{2|C<4>}	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CC)2(C[6]C[6]2){1|H<1>,1|N<3>,4|C<3>}	118.9698	0.833	4	118.9698	0.694	4	118.9698	0.694	4	118.9698	0.694	4	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	4:3:3:4:	4:3:1:1:	4:4:3:	C[3]-4:C[3]-3:N[5]-3:C-4:	C[3]-4:C[6a]-3:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH)	C(C[3]C[3]2N[5])(C[6a]C[6a]2)(H)2	C[3](C[3]C[3]N[5]C)(C[3]C[3]HH)(CHH)	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[3]C[3]2N[5])(C[6a]C[6a]2)(H)2	C[3](C[3]C[3]N[5]C)(C[3]C[3]HH)(CHH){1|C<3>,1|C<4>}	118.8730	0.000	1	118.8730	0.000	1	118.8730	0.000	1	118.8730	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	4:3:4:1:	4:1:1:1:	4:4:3:	C[3]-4:C[3]-3:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3](C[3]C[3]CC)(C[3]C[3]C)(CH3)(H)	C(C[3]C[3]2H)(H)3	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHH)	C[3](C[3]C[3]CC)(C[3]C[3]C)(CH3)(H)	C(C[3]C[3]2H)(H)3	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHH)	122.9190	0.000	1	122.9190	0.000	1	122.9190	0.000	1	122.9190	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	4:3:4:1:	4:3:2:1:	4:4:3:	C[3]-4:C[3]-3:C-4:H-1:	C[3]-4:C-3:O-2:H-1:	C[3]-4:C[3]-4:C-3:	C[3](C[3]C[3]HH)(C[3]C[3]C)(CCHO)(H)	C(C[3]C[3]2H)(COO)(OH)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHH)	C[3](C[3]C[3]HH)(C[3]C[3]C)(CCHO)(H)	C(C[3]C[3]2H)(COO)(OH)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHH)	119.2610	0.000	1	119.2610	0.000	1	119.2610	0.000	1	119.2610	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	4:3:4:1:	4:4:2:1:	4:4:3:	C[3]-4:C[3]-3:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:C-3:	C[3](C[3]C[3]HH)(C[3]C[3]C)(CCHO)(H)	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHH)	C[3](C[3]C[3]HH)(C[3]C[3]C)(CCHO)(H)	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHH)	118.4020	0.000	1	118.4020	0.000	1	118.4020	0.000	1	118.4020	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	4:3:4:2:	4:4:2:1:	4:4:3:	C[3]-4:C[3]-3:C-4:O-2:	C[3]-4:C[6]-4:O-2:H-1:	C[3]-4:C[3]-4:C-3:	C[3](C[3]C[3]HH)(C[3]C[3]C)(CC[6]HO)(OC)	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	C[3](C[3]C[3]CO)(C[3]C[3]HH)(CHH)	C[3](C[3]C[3]HH)(C[3]C[3]C)(CC[6]HO)(OC)	C(C[3]C[3]2O)(C[6]C[6]2H)(OH)(H)	C[3](C[3]C[3]CO)(C[3]C[3]HH)(CHH)	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	4:3:4:4:	3:4:2:1:	4:4:3:	C[3]-4:C[3]-3:C-4:C-4:	C[6a]-3:C[3]-4:O-2:H-1:	C[3]-4:C[3]-4:C-3:	C[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OH)(H)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHH)	C[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HO)(CH3)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OH)(H)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHH)	121.3920	0.000	1	121.3920	0.000	1	121.3920	0.000	1	121.3920	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	4:3:4:4:	4:1:1:1:	4:4:2:	C[3]-4:C[3]-3:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:C-2:	C[3](C[3]C[3]CC)(C[3]C[3]C)(CH3)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CC)2(CC)	C[3](C[3]C[3]CC)(C[3]C[3]C)(CH3)2	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CC)2(CC)	117.5872	1.064	8	117.5872	1.132	8	117.5872	1.132	8	117.5872	1.132	8	119.6482	5.528	35	119.7289	5.338	37
486	490	902	0:SP3_SP2_SP3	C[3]	C	C[3]	4:3:4:4:	4:1:1:1:	4:4:3:	C[3]-4:C[3]-3:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:C-3:	C[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HO)(CH3)	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHH)	C[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HO)(CH3)	C(C[3]C[3]2C)(H)3	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHH)	118.5550	0.000	1	118.5550	0.000	1	118.5550	0.000	1	118.5550	0.000	1	119.6482	5.528	35	119.7289	5.338	37
486	490	909	0:SP3_SP2_SP3	C[3]	C	S	4:4:2:4:	4:4:2:1:	3:4:	C[3]-4:C[3]-4:S-2:C-4:	C[3]-4:C-4:O-2:H-1:	C[6a]-3:C[3]-4:	C[3](C[3]C[3]HH)2(SC[6a])(CCHO)	C(C[3]C[3]2S)(CCHH)(OH)(H)	S(C[6a]C[6a]2)(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(SC[6a])(CCHO)	C(C[3]C[3]2S)(CCHH)(OH)(H)	S(C[6a]C[6a]2)(C[3]C[3]2C)	114.0485	0.387	2	114.0485	0.150	2	114.0485	0.150	2	114.0485	0.150	2	114.0485	0.150	2	114.0485	0.150	2
486	490	917	0:SP3_SP3_SP3	C[3,3x5]	C	P[4,3x5]	4:4:3:4:	4:4:4:4:	4:4:2:1:	C[3,3x5]-4:P[4,3x5]-4:P[3,5,5]-3:C-4:	C[3,3x5]-4:C-4:C-4:C-4:	C[3,3x5]-4:C[4,3x5]-4:Se[4,5]-2:Se-1:	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[4,3x5]C[4,3x5]Se[4,5]Se)(P[3,5,5]C[3,3x5]Se[5,5])(CC3)	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	P[4,3x5](C[3,3x5]C[3,3x5]P[3,5,5]C)(C[4,3x5]P[4,3x5]Se[5,5]C)(Se[4,5]P[4,3x5])(Se)	C[3,3x5](C[3,3x5]P[3,5,5]P[4,3x5]C)(P[4,3x5]C[4,3x5]Se[4,5]Se)(P[3,5,5]C[3,3x5]Se[5,5])(CC3){1|C<4>}	C(C[3,3x5]C[3,3x5]P[3,5,5]P[4,3x5])(CH3)3	P[4,3x5](C[3,3x5]C[3,3x5]P[3,5,5]C)(C[4,3x5]P[4,3x5]Se[5,5]C)(Se[4,5]P[4,3x5])(Se){1|C<4>}	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	114.1520	0.000	1	119.2475	51.928	2
486	490	917	0:SP3_SP3_SP3	C[3,4,5,6]	C	P[4,5,5,6]	3:3:4:4:	4:4:4:4:	4:4:3:1:	P[3,4,4]-3:P[3,4,5,6]-3:P[4,5,5,6]-4:C-4:	C[3,4,5,6]-4:C-4:C-4:C-4:	C[3,4,5,6]-4:C[4,4,5,5]-4:C[5,6]-3:H-1:	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3)	C(C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]P[3,4,4])(CH3)3	P[4,5,5,6](C[3,4,5,6]P[3,4,5,6]P[3,4,4]C)(C[4,4,5,5]P[4,5,5,6]P[3,4,4]C)(C[5,6]C[5,6]C)(H)	C[3,4,5,6](P[3,4,4]C[4,4,5,5]P[3,4,5,6])(P[3,4,5,6]P[4,5,5,6]P[3,4,4])(P[4,5,5,6]C[4,4,5,5]C[5,6]H)(CC3){1|C<3>,2|C<4>}	C(C[3,4,5,6]P[3,4,5,6]P[4,5,5,6]P[3,4,4])(CH3)3	P[4,5,5,6](C[3,4,5,6]P[3,4,5,6]P[3,4,4]C)(C[4,4,5,5]P[4,5,5,6]P[3,4,4]C)(C[5,6]C[5,6]C)(H){1|C<4>}	124.3430	0.000	1	124.3430	0.000	1	124.3430	0.000	1	124.3430	0.000	1	124.3430	0.000	1	119.2475	51.928	2
486	490	921	0:SP3_SP3_SP3	C[3]	C	Se	4:4:2:4:	4:4:1:1:	3:4:	C[3]-4:C[3]-4:Se-2:C-4:	C[3]-4:C-4:H-1:H-1:	C[6a]-3:C[3]-4:	C[3](C[3]C[6a]B[5]C[3])(C[3]C[3]HH)(SeC[6a])(CCHH)	C(C[3]C[3]2Se)(CC[6a]HH)(H)2	Se(C[6a]C[6a]2)(C[3]C[3]2C)	C[3](C[3]C[6a]B[5]C[3])(C[3]C[3]HH)(SeC[6a])(CCHH){2|C<3>,2|O<2>}	C(C[3]C[3]2Se)(CC[6a]HH)(H)2	Se(C[6a]C[6a]2)(C[3]C[3]2C)	115.9570	0.000	1	115.9570	0.000	1	115.9570	0.000	1	115.9570	0.000	1	115.9570	0.000	1	115.9570	0.000	1
486	490	924	0:SP3_SP-NON_SP3	C[3]	C	Br	3:2:4:1:	4:4:4:4:	4:	C[3]-3:O[3]-2:C-4:Br-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:	C[3](C[3]O[3]C)(O[3]C[3])(CC3)(Br)	C(C[3]C[3]O[3]Br)(CH3)3	Br(C[3]C[3]O[3]C)	C[3](C[3]O[3]C)(O[3]C[3])(CC3)(Br)	C(C[3]C[3]O[3]Br)(CH3)3	Br(C[3]C[3]O[3]C)	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	114.7260	0.000	1	112.3323	2.837	4	112.3323	2.837	4
486	490	924	0:SP3_SP-NON_SP3	C[3]	C	Br	4:4:4:1:	4:2:2:1:	4:	C[3]-4:C[3]-4:C-4:Br-1:	C[3]-4:O-2:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHOO)(Br)	C(C[3]C[3]2Br)(OC)2(H)	Br(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHOO)(Br)	C(C[3]C[3]2Br)(OC)2(H)	Br(C[3]C[3]2C)	111.2375	0.585	2	111.2375	0.342	2	111.2375	0.342	2	111.2375	0.342	2	112.3323	2.837	4	112.3323	2.837	4
486	490	924	0:SP3_SP-NON_SP3	C[3]	C	Br	4:4:4:1:	4:3:1:1:	4:	C[3,6]-4:C[3,6]-4:C-4:Br-1:	C[3]-4:C[6a]-3:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[6,6a]C[3,6]H)2(CC[6a]HH)(Br)	C(C[3]C[3,6]2Br)(C[6a]C[6a]2)(H)2	Br(C[3]C[3,6]2C)	C[3](C[3,6]C[6,6a]C[3,6]H)2(CC[6a]HH)(Br){4|C<3>}	C(C[3]C[3,6]2Br)(C[6a]C[6a]2)(H)2	Br(C[3]C[3,6]2C)	112.1280	0.000	1	112.1280	0.000	1	112.1280	0.000	1	112.1280	0.000	1	112.3323	2.837	4	112.3323	2.837	4
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	3:4:4:3:	4:3:3:1:	4:2:1:	N[3]-3:C[3]-4:C-4:C-3:	C[3]-4:C[6a]-3:N-3:H-1:	C[3]-4:O-2:O-1:	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO)	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(NHS)(H)	C(C[3]C[3]N[3]C)(OC)(O)	C[3](N[3]C[3]N[5])(C[3]N[3]HH)(CC[6a]HN)(COO){2|C<3>}	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(NHS)(H)	C(C[3]C[3]N[3]C)(OC)(O)	116.5130	0.000	1	116.5130	0.000	1	116.5130	0.000	1	116.5130	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:2:3:4:	4:1:1:1:	3:4:1:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:H-1:H-1:H-1:	N[5]-3:C[3]-4:O-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]O)(CH3)	C(C[3]C[3]O[3]C)(H)3	C(N[5]C[5,5,6]N[5])(C[3]C[3]O[3]C)(O)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]O)(CH3)	C(C[3]C[3]O[3]C)(H)3	C(N[5]C[5,5,6]N[5])(C[3]C[3]O[3]C)(O)	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	111.1390	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:2:3:4:	4:1:1:1:	4:3:1:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:N[6]-3:O-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3)	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(N[6]C[6]2)(O)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3){2|C<3>}	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(N[6]C[6]2)(O)	115.7950	0.000	1	115.7950	0.000	1	115.7950	0.000	1	115.7950	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:2:3:4:	4:4:1:1:	4:3:1:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[5]-3:O-1:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]O)(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(C[5]C[5]2)(O)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]O)(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	C(C[3]C[3]O[3]C)(C[5]C[5]2)(O)	114.8550	0.000	1	114.8550	0.000	1	114.8550	0.000	1	114.8550	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:2:4:3:	4:1:1:1:	4:2:1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(OC)(O)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(OC)(O)	115.9256	2.016	7	115.9256	4.064	7	115.7531	4.076	9	115.7531	4.076	9	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:2:4:3:	4:1:1:1:	4:2:1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(OC[6])(O)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(OC[6])(O)	115.1495	2.700	2	115.1495	7.292	2	115.7531	4.076	9	115.7531	4.076	9	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:2:4:3:	4:1:1:1:	4:3:1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C-3:H-1:	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CCH)	C(C[3]C[3]O[3]C)(F)3	C(C[3]C[3]O[3]C)(CC[6a]H)(H)	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CCH)	C(C[3]C[3]O[3]C)(F)3	C(C[3]C[3]O[3]C)(CC[6a]H)(H)	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	111.0530	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:2:4:3:	4:1:1:1:	4:4:1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C-4:O-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(CCO)	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(CCCH)(O)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(CCO)	C(C[3]C[3]O[3]C)(H)3	C(C[3]C[3]O[3]C)(CCCH)(O)	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	115.5270	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:2:4:3:	4:2:1:1:	4:2:1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O-2:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(COO)	C(C[3]C[3]O[3]C)(ON)(H)2	C(C[3]C[3]O[3]C)(OC)(O)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(COO)	C(C[3]C[3]O[3]C)(ON)(H)2	C(C[3]C[3]O[3]C)(OC)(O)	115.8760	0.139	2	115.8760	0.019	2	115.8760	0.019	2	115.8760	0.019	2	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:2:4:3:	4:4:1:1:	4:1:1:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:C-4:H-1:H-1:	C[3]-4:H-1:O-1:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHO)	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(C[3]C[3]O[3]C)(H)(O)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHO)	C(C[3]C[3]O[3]C)(CCHO)(H)2	C(C[3]C[3]O[3]C)(H)(O)	116.9665	0.349	2	116.9665	0.122	2	116.9665	0.122	2	116.9665	0.122	2	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:3:3:4:	4:1:1:1:	3:4:1:	C[3]-4:N[3]-3:C-3:C-4:	C[3]-4:H-1:H-1:H-1:	N[5]-3:C[3]-4:O-1:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3)	C(C[3]C[3]N[3]C)(H)3	C(N[5]C[5,5,6]S[5])(C[3]C[3]N[3]C)(O)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CN[5]O)(CH3){2|C<3>}	C(C[3]C[3]N[3]C)(H)3	C(N[5]C[5,5,6]S[5])(C[3]C[3]N[3]C)(O)	117.1960	0.000	1	117.1960	0.000	1	117.1960	0.000	1	117.1960	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:2:3:	3:4:3:1:	4:3:1:	C-4:C[3]-4:O[3]-2:C-3:	C[5a]-3:C[3]-4:C[6a]-3:H-1:	C[3]-4:C-3:O-1:	C[3](CC[5a]C[6a]H)(C[3]O[3]CH)(O[3]C[3])(CCO)	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	C(C[3]C[3]O[3]C)(CCH)(O)	C[3](CC[5a]C[6a]H)(C[3]O[3]CH)(O[3]C[3])(CCO)	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	C(C[3]C[3]O[3]C)(CCH)(O)	119.5740	0.000	1	119.5740	0.000	1	119.5740	0.000	1	119.5740	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:2:3:	4:3:4:2:	4:3:1:	C[3]-4:C-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:C-4:N-2:	C[3]-4:N-3:O-1:	C[3](C[3]O[3]CH)(CC[6a]CN)(O[3]C[3])(CNO)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	C(C[3]C[3]O[3]C)(NHH)(O)	C[3](C[3]O[3]CH)(CC[6a]CN)(O[3]C[3])(CNO)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	C(C[3]C[3]O[3]C)(NHH)(O)	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	113.8820	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:3:4:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-3:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:N[5]-3:O-1:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CN[5]O)(CCHH)	C(C[3]C[3]2C)(CH3)(H)2	C(C[3]C[3]2C)(N[5]C[5]2)(O)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CN[5]O)(CCHH)	C(C[3]C[3]2C)(CH3)(H)2	C(C[3]C[3]2C)(N[5]C[5]2)(O)	115.5340	0.000	1	115.5340	0.000	1	113.5730	7.691	2	113.5730	7.691	2	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:3:4:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-3:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:N[5]-3:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(CCHH)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(N[5]C[5]2)(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5]O)(CCHH){2|C<3>}	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(N[5]C[5]2)(O)	111.6120	0.000	1	111.6120	0.000	1	113.5730	7.691	2	113.5730	7.691	2	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	3:4:1:1:	3:4:1:	C[3]-4:C[3]-4:C-4:C-3:	N[5a]-3:C[3]-4:H-1:H-1:	N[5,6]-3:C[3]-4:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5a]HH)(CN[5,6]O)	C(N[5a]C[5a,6a]C[5a])(C[3]C[3]2C)(H)2	C(N[5,6]C[5,6]2)(C[3]C[3]2C)(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CN[5a]HH)(CN[5,6]O){2|C<3>}	C(N[5a]C[5a,6a]C[5a])(C[3]C[3]2C)(H)2	C(N[5,6]C[5,6]2)(C[3]C[3]2C)(O)	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	119.3660	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	3:4:1:1:	4:1:1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:H-1:O-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HH)(CHO)	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(H)(O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HH)(CHO){2|C<3>}	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(H)(O)	115.8750	0.000	1	115.8750	0.000	1	115.8750	0.000	1	115.8750	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	3:4:1:1:	4:2:1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(OC)(O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HH)(COO){2|C<3>}	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(OC)(O)	113.4470	0.401	6	113.4470	0.161	6	114.4211	3.684	8	114.4211	3.684	8	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	3:4:1:1:	4:2:1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(OC)(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)(COO){2|C<3>}	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(OC)(O)	118.3940	0.000	1	118.3940	0.000	1	114.4211	3.684	8	114.4211	3.684	8	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	3:4:1:1:	4:2:1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(OH)(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]HH)(COO){2|C<3>}	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(OH)(O)	116.2930	0.000	1	116.2930	0.000	1	114.4211	3.684	8	114.4211	3.684	8	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	3:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(CC[6a]HH)(CCH)	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(CCC)(H)	C[3](C[3]C[6a]2C[3])(C[3]C[3]CH)(CC[6a]HH)(CCH){4|C<3>}	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(CCC)(H)	116.4550	0.000	1	116.4550	0.000	1	116.4550	0.000	1	116.9557	0.754	3	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	3:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:N-3:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]HH)(CNO)	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(NCO)(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]HH)(CNO){2|C<3>}	C(C[6a]C[6a]2)(C[3]C[3]2C)(H)2	C(C[3]C[3]2C)(NCO)(O)	117.2060	1.063	2	117.2060	1.131	2	117.2060	1.131	2	116.9557	0.754	3	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	3:4:2:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[6a]-3:C[3]-4:O-2:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HO)(CCH)	C(C[6a]C[6a]2)(C[3]C[3]2C)(OC)(H)	C(C[3]C[3]2C)(CHO)(H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC[6a]HO)(CCH){2|C<3>}	C(C[6a]C[6a]2)(C[3]C[3]2C)(OC)(H)	C(C[3]C[3]2C)(CHO)(H)	115.0630	0.000	1	115.0630	0.000	1	115.0630	0.000	1	115.0630	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[3,5]-4:C[3,5]-4:C-4:C-3:	C[3]-4:F-1:F-1:F-1:	C[3]-4:O-2:O-1:	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(CF3)(COO)	C(C[3]C[3,5]2C)(F)3	C(C[3]C[3,5]2C)(OC)(O)	C[3](C[3,5]C[5,6a]C[3,5]C[5])(C[3,5]C[3,5]C[5]2)(CF3)(COO){1|N<3>,3|O<1>,4|C<3>}	C(C[3]C[3,5]2C)(F)3	C(C[3]C[3,5]2C)(OC)(O)	106.9490	0.000	1	106.9490	0.000	1	106.9490	0.000	1	111.2300	8.240	4	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[3,6]-4:C[3,6]-4:C-4:C-3:	C[3]-4:F-1:F-1:F-1:	C[3]-4:O-2:O-1:	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]N[6]H)(CF3)(COO)	C(C[3]C[3,6]2C)(F)3	C(C[3]C[3,6]2C)(OC)(O)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]N[6]H)(CF3)(COO){1|C<4>,1|N<2>,2|C<3>}	C(C[3]C[3,6]2C)(F)3	C(C[3]C[3,6]2C)(OC)(O)	112.8460	0.264	2	112.8460	0.070	2	112.8460	0.070	2	111.2300	8.240	4	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:1:1:1:	4:2:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:N-2:O-1:	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NC)(O)	C[3](C[3]C[3]Cl2)(C[3]C[3]HH)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NC)(O)	112.2790	0.000	1	112.2790	0.000	1	112.2790	0.000	1	111.2300	8.240	4	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[3,5,6]-4:C[3,5]-4:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(CH3)(CCH)	C(C[3]C[3,5,6]C[3,5]C)(H)3	C(C[3]C[3,5,6]C[3,5]C)(CHH)(H)	C[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]H)(CH3)(CCH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[3]C[3,5,6]C[3,5]C)(H)3	C(C[3]C[3,5,6]C[3,5]C)(CHH)(H)	115.6580	0.000	1	115.6580	0.000	1	115.6580	0.000	1	115.2018	6.182	8	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:N-3:O-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NCH)(O)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NCH)(O)	117.5850	0.027	2	117.5850	0.001	2	115.1366	7.173	7	115.2018	6.182	8	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:N-3:O-1:	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NCH)(O)	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NCH)(O)	113.0125	1.020	2	113.0125	1.041	2	115.1366	7.173	7	115.2018	6.182	8	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:N-3:O-1:	C[3](C[3]C[3]HH)(C[3]C[3]HI)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NCC)(O)	C[3](C[3]C[3]HH)(C[3]C[3]HI)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NCC)(O)	118.0720	0.000	1	118.0720	0.000	1	115.1366	7.173	7	115.2018	6.182	8	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:N-3:O-1:	C[3](C[3]C[3]HH)(C[3]C[3]HO)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NCH)(O)	C[3](C[3]C[3]HH)(C[3]C[3]HO)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NCH)(O)	115.0680	0.000	1	115.0680	0.000	1	115.1366	7.173	7	115.2018	6.182	8	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:1:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:N-3:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]SiH)(CH3)(CNO)	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NCC)(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]SiH)(CH3)(CNO){2|C<3>}	C(C[3]C[3]2C)(H)3	C(C[3]C[3]2C)(NCC)(O)	111.6210	0.000	1	111.6210	0.000	1	115.1366	7.173	7	115.2018	6.182	8	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:2:1:1:	4:2:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:O-2:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3]C[3]HH)2(CHHO)(COO)	C(C[3]C[3]2C)(OC[6a])(H)2	C(C[3]C[3]2C)(OC)(O)	C[3](C[3]C[3]HH)2(CHHO)(COO)	C(C[3]C[3]2C)(OC[6a])(H)2	C(C[3]C[3]2C)(OC)(O)	119.2540	0.000	1	119.2540	0.000	1	119.2540	0.000	1	119.2540	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:2:1:1:	4:4:1:	C[3,6]-4:C[3,6]-4:C-4:C-3:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C-4:O-1:	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CHHO)(CCO)	C(C[3]C[3,6]2C)(OH)(H)2	C(C[3]C[3,6]2C)(CHHO)(O)	C[3](C[3,6]C[6,6a]C[3,6]H)(C[3,6]C[3,6]C[6]H)(CHHO)(CCO){1|H<1>,3|C<3>}	C(C[3]C[3,6]2C)(OH)(H)2	C(C[3]C[3,6]2C)(CHHO)(O)	118.8700	0.000	1	118.8700	0.000	1	118.8700	0.000	1	118.8700	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[3,5,6]-4:C[3,5,6]-4:C-4:C-3:	C[3]-4:C-3:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(CCHH)(COO)	C(C[3]C[3,5,6]2C)(CCO)(H)2	C(C[3]C[3,5,6]2C)(OC)(O)	C[3](C[3,5,6]C[3,5,6]C[5,5,6]H)2(CCHH)(COO){1|O<2>,2|C<4>,2|H<1>}	C(C[3]C[3,5,6]2C)(CCO)(H)2	C(C[3]C[3,5,6]2C)(OC)(O)	113.4030	0.000	1	113.4030	0.000	1	113.4030	0.000	1	115.0410	5.366	2	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:3:1:1:	4:2:1:	C[3,6]-4:C[3,6]-4:C-4:C-3:	C[3]-4:C-3:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCHH)(COO)	C(C[3]C[3,6]2C)(COO)(H)2	C(C[3]C[3,6]2C)(OC)(O)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CCHH)(COO){1|H<1>,1|N<2>,2|C<3>}	C(C[3]C[3,6]2C)(COO)(H)2	C(C[3]C[3,6]2C)(OC)(O)	116.6790	0.000	1	116.6790	0.000	1	116.6790	0.000	1	115.0410	5.366	2	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:3:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:C-3:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CCHH)(CCH)	C(C[3]C[3]2C)(CHO)(H)2	C(C[3]C[3]2C)(CHH)(H)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CCHH)(CCH){4|C<3>}	C(C[3]C[3]2C)(CHO)(H)2	C(C[3]C[3]2C)(CHH)(H)	116.8280	0.000	1	116.8280	0.000	1	116.8280	0.000	1	116.8280	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[3,5,6,6]-4:C[3,5,6,6]-4:C-4:C-3:	C[3]-4:C-4:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(CCHH)(COO)	C(C[3]C[3,5,6,6]2C)(CH3)(H)2	C(C[3]C[3,5,6,6]2C)(OC)(O)	C[3](C[3,5,6,6]C[3,5,6,6]C[5,6,6a]2)2(CCHH)(COO){8|C<3>}	C(C[3]C[3,5,6,6]2C)(CH3)(H)2	C(C[3]C[3,5,6,6]2C)(OC)(O)	111.4590	0.000	1	111.4590	0.000	1	111.4590	0.000	1	111.9737	0.436	3	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:4:1:1:	4:2:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:C-4:H-1:H-1:	C[3]-4:O-2:O-1:	C[3](C[3]C[3]BrC)(C[3]C[3]CH)(CCHH)(COO)	C(C[3]C[3]2C)(CH3)(H)2	C(C[3]C[3]2C)(OH)(O)	C[3](C[3]C[3]BrC)(C[3]C[3]CH)(CCHH)(COO)	C(C[3]C[3]2C)(CH3)(H)2	C(C[3]C[3]2C)(OH)(O)	112.2310	0.689	2	112.2310	0.474	2	112.2310	0.474	2	111.9737	0.436	3	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-3:H-1:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CCHH)(CCH)	C(C[3]C[3]2C)(CH3)(H)2	C(C[3]C[3]2C)(CHH)(H)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CCHH)(CCH)	C(C[3]C[3]2C)(CH3)(H)2	C(C[3]C[3]2C)(CHH)(H)	113.0940	0.000	1	113.0940	0.000	1	113.0940	0.000	1	114.5187	1.880	4	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C-3:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]Br2)(CCHH)(CCO)	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(CCC)(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]Br2)(CCHH)(CCO){2|C<3>}	C(C[3]C[3]2C)(CCHH)(H)2	C(C[3]C[3]2C)(CCC)(O)	116.2600	0.000	1	116.2600	0.000	1	116.2600	0.000	1	114.5187	1.880	4	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:4:1:1:	4:3:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:C-4:H-1:H-1:	C[3]-4:N-3:O-1:	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CCHH)(CNO)	C(C[3]C[3]2C)(CH3)(H)2	C(C[3]C[3]2C)(NCH)(O)	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CCHH)(CNO)	C(C[3]C[3]2C)(CH3)(H)2	C(C[3]C[3]2C)(NCH)(O)	114.3605	0.728	2	114.3605	0.529	2	114.3605	0.529	2	114.5187	1.880	4	115.0915	6.364	63	115.0915	6.364	63
486	490	930	0:SP3_SP2_SP3	C[3]	C	C	4:4:4:3:	4:4:4:2:	4:2:1:	C[3]-4:C[3]-4:C-4:C-3:	C[3]-4:C-4:C-4:O-2:	C[3]-4:O-2:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(COO)	C(C[3]C[3]2C)(CCCH)2(OH)	C(C[3]C[3]2C)(OC)(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(COO){2|C<3>}	C(C[3]C[3]2C)(CCCH)2(OH)	C(C[3]C[3]2C)(OC)(O)	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	115.0915	6.364	63	115.0915	6.364	63
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	2:2:4:1:	4:4:1:1:	4:	N[3]-2:N[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](N[3]N[3])2(CCHH)(H)	C(C[3]N[3]2H)(CCHH)(H)2	H(C[3]N[3]2C)	C[3](N[3]N[3])2(CCHH)(H)	C(C[3]N[3]2H)(CCHH)(H)2	H(C[3]N[3]2C)	116.8675	0.078	2	116.8675	0.006	2	116.8675	0.006	2	116.8675	0.006	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:2:4:1:	4:1:1:1:	4:	C[3]-3:N[3]-2:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]C[6a]N[3])(N[3]C[3])(CF3)(H)	C(C[3]C[3]N[3]H)(F)3	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3])(N[3]C[3])(CF3)(H){2|C<3>}	C(C[3]C[3]N[3]H)(F)3	H(C[3]C[3]N[3]C)	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:3:4:1:	4:2:1:1:	4:	C[3]-3:C[3]-3:C-4:H-1:	C[3]-4:N-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[6])(C[3]C[3]C)(CHHN)(H)	C(C[3]C[3]2H)(NS)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]C[6])(C[3]C[3]C)(CHHN)(H){2|C<4>}	C(C[3]C[3]2H)(NS)(H)2	H(C[3]C[3]2C)	116.1100	0.000	1	116.1100	0.000	1	116.1100	0.000	1	116.1100	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:3:4:1:	4:3:3:2:	4:	C[3]-3:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3]-4:	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]C)(N[3]C[3]C)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	H(C[3]C[3]N[3]C)	116.2843	0.322	4	116.2843	0.104	4	116.2843	0.104	4	116.2843	0.104	4	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:3:4:1:	4:4:4:4:	4:	P[3,5]-3:P[3,5]-3:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:	C[3](P[3,5]P[3,5]C[5])2(CC3)(H)	C(C[3]P[3,5]2H)(CH3)3	H(C[3]P[3,5]2C)	C[3](P[3,5]P[3,5]C[5])2(CC3)(H){1|H<1>,1|P<2>,2|C<4>}	C(C[3]P[3,5]2H)(CH3)3	H(C[3]P[3,5]2C)	112.6300	0.000	1	112.6300	0.000	1	112.6300	0.000	1	112.6300	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:4:4:1:	4:1:1:1:	4:	N[3]-3:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[3]N[3]CC)(CH3)(H)	C(C[3]C[3]N[3]H)(H)3	H(C[3]C[3]N[3]C)	C[3](N[3]N[6a]C[3])(C[3]N[3]CC)(CH3)(H){2|C<3>}	C(C[3]C[3]N[3]H)(H)3	H(C[3]C[3]N[3]C)	114.0300	0.000	1	114.0300	0.000	1	114.2945	0.140	2	114.2945	0.140	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:4:4:1:	4:1:1:1:	4:	N[3]-3:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CH3)(H)	C(C[3]C[3]N[3]H)(H)3	H(C[3]C[3]N[3]C)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CH3)(H){2|C<3>}	C(C[3]C[3]N[3]H)(H)3	H(C[3]C[3]N[3]C)	114.5590	0.000	1	114.5590	0.000	1	114.2945	0.140	2	114.2945	0.140	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:4:4:1:	4:2:1:1:	4:	N[3]-3:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(CHHO)(H)	C(C[3]C[3]N[3]H)(OC)(H)2	H(C[3]C[3]N[3]C)	C[3](N[3]C[3]N[5])(C[3]N[3]CH)(CHHO)(H){2|C<3>}	C(C[3]C[3]N[3]H)(OC)(H)2	H(C[3]C[3]N[3]C)	114.3802	1.699	6	114.3802	2.888	6	114.3802	2.888	6	114.3802	2.888	6	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:4:4:1:	4:3:3:2:	4:	N[3]-3:C[3]-4:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3]-4:	C[3](N[3]C[3]C[5])(C[3]N[3]HH)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	H(C[3]C[3]N[3]C)	C[3](N[3]C[3]C[5])(C[3]N[3]HH)(CC[6a]2O)(H){1|H<1>,2|C<3>}	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	H(C[3]C[3]N[3]C)	116.4610	0.000	1	116.4610	0.000	1	116.4610	0.000	1	116.4610	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:4:4:1:	4:4:1:1:	4:	N[3]-3:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(C[3]C[3]N[3]C)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHH)(H){2|C<3>}	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(C[3]C[3]N[3]C)	114.2390	0.000	1	114.2390	0.000	1	114.2390	0.000	1	115.3365	2.409	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:4:4:1:	4:4:1:1:	4:	N[3]-3:C[3]-4:C-4:H-1:	C[3]-4:S-4:F-1:F-1:	C[3]-4:	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H)	C(C[3]C[3]N[3]H)(SC[6a]OO)(F)2	H(C[3]C[3]N[3]C)	C[3](N[3]C[6a]C[3])(C[3]N[3]CH)(CFFS)(H){2|C<3>}	C(C[3]C[3]N[3]H)(SC[6a]OO)(F)2	H(C[3]C[3]N[3]C)	116.4340	0.000	1	116.4340	0.000	1	116.4340	0.000	1	115.3365	2.409	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	3:4:4:1:	4:4:2:1:	4:	N[3]-3:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(H)	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	H(C[3]C[3]N[3]C)	C[3](N[3]N[6a]C[3])(C[3]N[3]CH)(CCHO)(H){2|C<3>}	C(C[3]C[3]N[3]H)(CH3)(OC)(H)	H(C[3]C[3]N[3]C)	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	115.8360	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	C(C[3]C[3,6,6]O[3]H)(H)3	H(C[3]C[3,6,6]O[3]C)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[3]C[3,6,6]O[3]H)(H)3	H(C[3]C[3,6,6]O[3]C)	114.7040	0.119	2	114.7040	0.014	2	114.7927	0.031	3	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	C(C[3]C[3,6,6]O[3]H)(H)3	H(C[3]C[3,6,6]O[3]C)	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[3]C[3,6,6]O[3]H)(H)3	H(C[3]C[3,6,6]O[3]C)	114.9700	0.000	1	114.9700	0.000	1	114.7927	0.031	3	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	C(C[3]C[3,6]O[3]H)(H)3	H(C[3]C[3,6]O[3]C)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[3]C[3,6]O[3]H)(H)3	H(C[3]C[3,6]O[3]C)	114.5093	0.107	3	114.5402	0.014	5	114.7345	0.238	6	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	C(C[3]C[3,6]O[3]H)(H)3	H(C[3]C[3,6]O[3]C)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){2|C<4>,4|H<1>}	C(C[3]C[3,6]O[3]H)(H)3	H(C[3]C[3,6]O[3]C)	114.5865	0.163	2	114.5402	0.014	5	114.7345	0.238	6	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H)	C(C[3]C[3,6]O[3]H)(H)3	H(C[3]C[3,6]O[3]C)	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[3]C[3,6]O[3]H)(H)3	H(C[3]C[3,6]O[3]C)	115.7060	0.000	1	115.7060	0.000	1	114.7345	0.238	6	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H)	C(C[3]C[3]O[3]H)(F)3	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H){2|C<3>}	C(C[3]C[3]O[3]H)(F)3	H(C[3]C[3]O[3]C)	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H){1|N<4>,2|O<2>}	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	116.1020	0.000	1	116.1020	0.000	1	114.6539	8.066	17	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H){1|H<1>,2|C<4>}	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	114.2790	0.000	1	114.2790	0.000	1	114.6539	8.066	17	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H){4|C<3>}	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	115.1330	0.000	1	115.1330	0.000	1	114.6539	8.066	17	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	114.5104	0.565	7	114.5104	0.319	7	114.6539	8.066	17	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	116.3150	2.163	3	116.3150	4.679	3	114.6539	8.066	17	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	H(C[3]C[3]O[3]C)	113.2712	5.752	4	113.2712	33.082	4	114.6539	8.066	17	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	C(C[3]C[3]S[3]H)(H)3	H(C[3]C[3]S[3]C)	C[3](C[3]S[3]CH)(S[3]C[3])(CH3)(H)	C(C[3]C[3]S[3]H)(H)3	H(C[3]C[3]S[3]C)	114.3320	0.000	2	114.3320	0.000	2	114.3320	0.000	2	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	P[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](P[3]C[5]O[3]Cr)(O[3]P[3])(CH3)(H)	C(C[3]O[3]P[3]H)(H)3	H(C[3]O[3]P[3]C)	C[3](P[3]C[5]O[3]Cr)(O[3]P[3])(CH3)(H){1|C<4>,2|C<3>}	C(C[3]O[3]P[3]H)(H)3	H(C[3]O[3]P[3]C)	115.1925	0.078	2	115.1925	0.006	2	115.2285	0.008	4	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:1:1:1:	4:	P[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](P[3]C[5]O[3]Mo)(O[3]P[3])(CH3)(H)	C(C[3]O[3]P[3]H)(H)3	H(C[3]O[3]P[3]C)	C[3](P[3]C[5]O[3]Mo)(O[3]P[3])(CH3)(H){1|C<4>,2|C<3>}	C(C[3]O[3]P[3]H)(H)3	H(C[3]O[3]P[3]C)	115.2645	0.107	2	115.2645	0.011	2	115.2285	0.008	4	114.7721	4.166	33	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:2:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	114.9260	0.000	1	114.9260	0.000	1	115.4749	0.745	18	115.4749	0.745	18	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:2:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H){2|C<3>}	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	115.6920	0.000	1	115.6920	0.000	1	115.4749	0.745	18	115.4749	0.745	18	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:2:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H){2|C<3>}	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	116.4600	1.120	2	116.4600	1.255	2	115.4749	0.745	18	115.4749	0.745	18	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:2:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	115.1044	0.617	5	115.1044	0.381	5	115.4749	0.745	18	115.4749	0.745	18	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:2:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	115.6827	1.060	4	115.6827	1.124	4	115.4749	0.745	18	115.4749	0.745	18	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:2:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	H(C[3]C[3]O[3]C)	115.9340	0.000	1	115.9340	0.000	1	115.4749	0.745	18	115.4749	0.745	18	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:2:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC[5a])(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC[5a])(H)2	H(C[3]C[3]O[3]C)	116.4490	0.000	1	116.4490	0.000	1	115.4749	0.745	18	115.4749	0.745	18	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:2:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	H(C[3]C[3]O[3]C)	114.7917	0.632	3	114.7917	0.399	3	115.4749	0.745	18	115.4749	0.745	18	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:2:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-2:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CC)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CC)(OH)(H)	H(C[3]C[3]O[3]C)	115.1830	0.000	1	115.1830	0.000	1	115.1830	0.000	1	115.1830	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:2:4:4:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:C-4:C-4:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCO)(H)	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCO)(H)	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	H(C[3]C[3]O[3]C)	115.0700	0.000	1	115.0700	0.000	1	115.0700	0.000	1	115.0700	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-3:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	H(C[3]C[3,5]O[3]C)	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H){1|H<1>,1|O<2>,4|C<4>}	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	H(C[3]C[3,5]O[3]C)	115.0710	0.000	2	115.0710	0.000	2	115.0710	0.000	2	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(COO)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(COO)(H)2	H(C[3]C[3]O[3]C)	113.2610	1.790	2	113.2610	3.206	2	113.2610	3.206	2	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NC[5a]S)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	C(C[3]C[3]O[3]H)(NC[5a]S)(H)2	H(C[3]C[3]O[3]C)	114.6570	0.000	1	114.6570	0.000	1	113.8736	25.040	7	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	H(C[3]C[3]O[3]C)	115.4322	0.278	4	115.4322	0.077	4	113.8736	25.040	7	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NCS)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NCS)(H)2	H(C[3]C[3]O[3]C)	102.7800	0.000	1	102.7800	0.000	1	113.8736	25.040	7	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NCS)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NCS)(H)2	H(C[3]C[3]O[3]C)	117.9490	0.000	1	117.9490	0.000	1	113.8736	25.040	7	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N[5]-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CN[5]HH)(H)	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CN[5]HH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	H(C[3]C[3]O[3]C)	114.8700	0.000	1	114.8700	0.000	1	113.9220	1.797	2	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N[5]-3:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]HH)(H)	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]HH)(H)	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	H(C[3]C[3]O[3]C)	112.9740	0.000	1	112.9740	0.000	1	113.9220	1.797	2	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N[6]-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H)	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H){2|C<3>}	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	H(C[3]C[3]O[3]C)	114.4630	1.315	2	114.4630	1.730	2	114.2207	1.041	3	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N[6]-3:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CN[6]HH)(H)	C(C[3]C[3]O[3]H)(N[6]C[6]2)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[6]HH)(H)	C(C[3]C[3]O[3]H)(N[6]C[6]2)(H)2	H(C[3]C[3]O[3]C)	113.7360	0.000	1	113.7360	0.000	1	114.2207	1.041	3	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	C(C[3]C[3]S[3]H)(NHS)(H)2	H(C[3]C[3]S[3]C)	C[3](C[3]S[3]CH)(S[3]C[3])(CHHN)(H)	C(C[3]C[3]S[3]H)(NHS)(H)2	H(C[3]C[3]S[3]C)	114.5000	0.000	2	114.5000	0.000	2	114.5000	0.000	2	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:1:1:	4:	Se[3]-4:H[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](Se[3]C[6a]H[3]Pd)(H[3]Se[3])(CHHN)(H)	C(C[3]Se[3]H[3]H)(NPdC)(H)2	H(C[3]Se[3]H[3]C)	C[3](Se[3]C[6a]H[3]Pd)(H[3]Se[3])(CHHN)(H){2|C<3>}	C(C[3]Se[3]H[3]H)(NPdC)(H)2	H(C[3]Se[3]H[3]C)	120.0160	0.000	1	120.0160	0.000	1	120.0160	0.000	1	114.3843	10.826	19	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:3:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-3:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCH)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCH)(OH)(H)	H(C[3]C[3]O[3]C)	114.2480	0.512	2	114.2480	0.262	2	114.2480	0.262	2	114.2480	0.262	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	H(C[3]C[3,5]O[3]C)	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H){1|H<1>,1|O<2>,4|C<4>}	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	H(C[3]C[3,5]O[3]C)	117.0270	0.000	2	117.0270	0.000	2	117.0270	0.000	2	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H)	C(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	H(C[3]C[3,6]O[3]C)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H){3|C<4>,3|H<1>}	C(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	H(C[3]C[3,6]O[3]C)	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:Cl-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CClCH)(H)	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CClCH)(H)	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	H(C[3]C[3]O[3]C)	115.4303	0.416	3	115.4303	0.173	3	115.4303	0.173	3	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCHH)(H){1|O<2>,2|C<4>}	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	113.2760	0.000	1	113.2760	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(C[3]C[3]O[3]C)	116.4840	0.000	1	116.4840	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	114.6890	0.000	1	114.6890	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CH3)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H){1|Br<1>,1|C<3>,1|C<4>}	C(C[3]C[3]O[3]H)(CH3)(H)2	H(C[3]C[3]O[3]C)	115.4655	0.289	2	115.4655	0.084	2	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|C<4>}	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	115.1732	3.136	4	115.1732	9.835	4	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H){2|C<3>}	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(C[3]C[3]O[3]C)	115.1430	0.000	1	115.1430	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC3)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC3)(H)2	H(C[3]C[3]O[3]C)	114.3420	0.000	1	114.3420	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCH)(H)2	H(C[3]C[3]O[3]C)	113.8700	0.000	1	113.8700	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	114.2372	0.526	11	114.2372	0.277	11	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	H(C[3]C[3]O[3]C)	114.3707	0.477	3	114.3707	0.228	3	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	H(C[3]C[3]O[3]C)	114.1964	0.633	25	114.1964	0.401	25	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[5,6]HH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[5,6]HH)(H)2	H(C[3]C[3]O[3]C)	114.2525	0.165	2	114.2525	0.027	2	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[5]HH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[5]HH)(H)2	H(C[3]C[3]O[3]C)	114.2600	0.000	1	114.2600	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	H(C[3]C[3]O[3]C)	115.7660	0.000	1	115.7660	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCO)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCO)(H)2	H(C[3]C[3]O[3]C)	116.1355	0.009	2	116.1355	0.000	2	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	114.9771	0.590	24	114.9771	0.348	24	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	H(C[3]C[3]O[3]C)	116.1250	0.000	1	116.1250	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	H(C[3]C[3]O[3]C)	113.9050	1.233	2	113.9050	1.521	2	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CClCH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CClCH)(H)2	H(C[3]C[3]O[3]C)	115.1040	0.000	1	115.1040	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CS)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CH3)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CS)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CH3)(H)2	H(C[3]C[3]O[3]C)	115.2620	0.740	2	115.2620	0.547	2	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	H(C[3]C[3]O[3]C)	114.5530	0.417	3	114.5530	0.174	3	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CSiHS)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CSiHS)(H)2	H(C[3]C[3]O[3]C)	115.6010	0.000	1	115.6010	0.000	1	114.6498	0.918	91	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	113.7076	0.198	5	113.7076	0.039	5	114.1575	1.246	6	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	116.4070	0.000	1	116.4070	0.000	1	114.1575	1.246	6	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H){2|C<3>}	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	H(C[3]C[3]O[3]C)	116.1583	0.233	3	116.1583	0.054	3	114.8077	2.268	8	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	H(C[3]C[3]O[3]C)	114.2090	0.000	1	114.2090	0.000	1	114.8077	2.268	8	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(H)2	H(C[3]C[3]O[3]C)	114.6770	0.510	3	114.6770	0.260	3	114.8077	2.268	8	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	H(C[3]C[3]O[3]C)	111.7470	0.000	1	111.7470	0.000	1	114.8077	2.268	8	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	H(C[3]C[3]O[3]C)	113.7675	0.209	2	113.7675	0.044	2	113.7675	0.044	2	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[5]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C(C[5]C[5,5,6]C[5]H)(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C(C[5]C[5,5,6]C[5]H)(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	113.3400	0.000	1	113.3400	0.000	1	113.3400	0.000	1	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[6]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	112.7270	0.000	1	112.7270	0.000	1	112.7270	0.000	1	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:1:1:	4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:S-4:H-1:H-1:	C[3]-4:	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	C(C[3]C[3]S[3]H)(SC[6a]OO)(H)2	H(C[3]C[3]S[3]C)	C[3](C[3]S[3]HH)(S[3]C[3])(CHHS)(H)	C(C[3]C[3]S[3]H)(SC[6a]OO)(H)2	H(C[3]C[3]S[3]C)	115.5872	0.248	5	115.5872	0.062	5	115.5872	0.062	5	114.6999	1.110	120	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H)	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	H(C[3]C[3,5]O[3]C)	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H){1|H<1>,2|C<3>}	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	H(C[3]C[3,5]O[3]C)	116.1580	0.000	1	116.1580	0.000	1	116.1580	0.000	1	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	H(C[3]C[3]O[3]C)	115.2650	0.000	1	115.2650	0.000	1	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H){2|C<3>}	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(C[3]C[3]O[3]C)	116.8640	0.000	1	116.8640	0.000	1	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H){2|C<3>}	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	H(C[3]C[3]O[3]C)	116.1450	0.000	1	116.1450	0.000	1	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	H(C[3]C[3]O[3]C)	114.2050	0.000	1	114.2050	0.000	1	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	H(C[3]C[3]O[3]C)	114.3300	0.537	2	114.3300	0.289	2	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	H(C[3]C[3]O[3]C)	114.2225	0.110	2	114.2225	0.012	2	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	H(C[3]C[3]O[3]C)	114.8135	0.494	2	114.8135	0.244	2	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(C[3]C[3]O[3]C)	113.8470	0.000	1	113.8470	0.000	1	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	H(C[3]C[3]O[3]C)	116.0910	0.000	1	116.0910	0.000	1	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	H(C[3]C[3]O[3]C)	115.2050	0.000	1	115.2050	0.000	1	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	H(C[3]C[3]O[3]C)	113.9590	0.000	1	113.9590	0.000	1	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	H(C[3]C[3]O[3]C)	115.6730	0.000	1	115.6730	0.000	1	114.9324	0.874	15	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HO)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HO)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	H(C[3]C[3]O[3]C)	113.5555	0.056	2	113.5555	0.003	2	113.5555	0.003	2	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:P-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H)	C(C[3]C[3]O[3]H)(PO3)(OC)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H){2|C<3>}	C(C[3]C[3]O[3]H)(PO3)(OC)(H)	H(C[3]C[3]O[3]C)	116.3080	0.000	1	116.3080	0.000	1	116.3080	0.000	1	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:2:1:	4:	C[3]-4:S[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H)	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	H(C[3]C[3]S[3]C)	C[3](C[3]C[6a]S[3]C)(S[3]C[3])(CCHO)(H){2|C<3>}	C(C[3]C[3]S[3]H)(CCHO)(OC)(H)	H(C[3]C[3]S[3]C)	114.2010	0.000	1	114.2010	0.000	1	114.2010	0.000	1	114.8882	1.049	20	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:3:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-3:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CH3)(CCH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CH3)(CCH)(H)	H(C[3]C[3]O[3]C)	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	114.7146	1.163	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:3:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	H(C[3]C[3]O[3]C)	112.4660	0.000	1	112.4660	0.000	1	114.7323	1.393	6	114.7146	1.163	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:3:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	H(C[3]C[3]O[3]C)	115.0613	0.578	3	115.0613	0.334	3	114.7323	1.393	6	114.7146	1.163	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:3:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	H(C[3]C[3]O[3]C)	115.3720	0.139	2	115.3720	0.019	2	114.7323	1.393	6	114.7146	1.163	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H)	C(C[3]C[3,6]O[3]H)(CH3)2(H)	H(C[3]C[3,6]O[3]C)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[3]C[3,6]O[3]H)(CH3)2(H)	H(C[3]C[3,6]O[3]C)	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CH3)2(H)	H(C[3]C[3]O[3]C)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]H)(CH3)2(H)	H(C[3]C[3]O[3]C)	114.8480	0.000	1	114.8480	0.000	1	115.0882	1.396	10	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	H(C[3]C[3]O[3]C)	113.9683	0.223	3	113.9683	0.050	3	115.0882	1.396	10	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	H(C[3]C[3]O[3]C)	114.2850	0.000	1	114.2850	0.000	1	115.0882	1.396	10	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	H(C[3]C[3]O[3]C)	115.8040	0.000	1	115.8040	0.000	1	115.0882	1.396	10	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	H(C[3]C[3]O[3]C)	115.9830	0.000	1	115.9830	0.000	1	115.0882	1.396	10	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	H(C[3]C[3]O[3]C)	117.5480	0.000	1	117.5480	0.000	1	115.0882	1.396	10	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	H(C[3]C[3]O[3]C)	115.7940	0.000	1	115.7940	0.000	1	115.0882	1.396	10	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CH3)2(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CH3)2(H)	H(C[3]C[3]O[3]C)	114.7150	0.000	1	114.7150	0.000	1	115.0882	1.396	10	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:C-4:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	H(C[3]C[3]O[3]C)	114.5940	0.518	2	114.5940	0.268	2	114.5940	0.268	2	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[5]-4:C[3]-4:C-4:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	H(C[3]C[3]O[3]C)	114.5465	0.281	2	114.5465	0.079	2	114.5465	0.079	2	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[6]-4:C[3]-4:C-4:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CC[6]CH)(H)	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(O[3]C[3])(CC[6]CH)(H)	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	H(C[3]C[3]O[3]C)	115.5120	0.000	1	115.5120	0.000	1	115.5120	0.000	1	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:1:	4:	P[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](P[3]O[3]CrC)(O[3]P[3])(CCCH)(H)	C(C[3]O[3]P[3]H)(CH3)2(H)	H(C[3]O[3]P[3]C)	C[3](P[3]O[3]CrC)(O[3]P[3])(CCCH)(H)	C(C[3]O[3]P[3]H)(CH3)2(H)	H(C[3]O[3]P[3]C)	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	114.8358	1.100	17	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:4:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	H(C[3]C[3]O[3]C)	113.9003	0.024	3	113.9003	0.001	3	114.0252	0.072	5	113.3526	1.369	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:4:	4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C(C[3]C[3]O[3]H)(CH3)3	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C(C[3]C[3]O[3]H)(CH3)3	H(C[3]C[3]O[3]C)	114.2125	0.414	2	114.2125	0.171	2	114.0252	0.072	5	113.3526	1.369	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:4:	4:	P[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:	C[3](P[3]C[5]O[3]Cr)(O[3]P[3])(CC3)(H)	C(C[3]O[3]P[3]H)(CH3)3	H(C[3]O[3]P[3]C)	C[3](P[3]C[5]O[3]Cr)(O[3]P[3])(CC3)(H){1|C<4>,2|C<3>}	C(C[3]O[3]P[3]H)(CH3)3	H(C[3]O[3]P[3]C)	111.6240	0.000	1	111.6240	0.000	1	111.6710	0.004	2	113.3526	1.369	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:2:4:1:	4:4:4:4:	4:	P[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:	C[3](P[3]O[3]MoC)(O[3]P[3])(CC3)(H)	C(C[3]O[3]P[3]H)(CH3)3	H(C[3]O[3]P[3]C)	C[3](P[3]O[3]MoC)(O[3]P[3])(CC3)(H)	C(C[3]O[3]P[3]H)(CH3)3	H(C[3]O[3]P[3]C)	111.7180	0.000	1	111.7180	0.000	1	111.6710	0.004	2	113.3526	1.369	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H)	C(C[3]C[3,6]N[3,6]H)(H)3	H(C[3]C[3,6]N[3,6]C)	C[3](C[3,6]N[3,6]C[6a]O[6])(N[3,6]C[3,6]C[6])(CH3)(H){1|O<1>,4|C<3>}	C(C[3]C[3,6]N[3,6]H)(H)3	H(C[3]C[3,6]N[3,6]C)	116.9730	0.000	1	116.9730	0.000	1	116.9730	0.000	1	114.6629	0.634	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-3:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]C)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]C)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	114.6629	0.634	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:Cl-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H)	C(C[3]C[3]N[3]H)(Cl)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]N[6a]C[3])(CClHH)(H){4|C<3>}	C(C[3]C[3]N[3]H)(Cl)(H)2	H(C[3]C[3]N[3]C)	113.6270	0.000	1	113.6270	0.000	1	113.6270	0.000	1	114.6629	0.634	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	C(C[3]C[3]N[3]H)(F)3	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CF3)(H)	C(C[3]C[3]N[3]H)(F)3	H(C[3]C[3]N[3]C)	114.5925	0.566	2	114.5925	0.321	2	114.5910	0.160	3	114.6629	0.634	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CF3)(H)	C(C[3]C[3]N[3]H)(F)3	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CF3)(H)	C(C[3]C[3]N[3]H)(F)3	H(C[3]C[3]N[3]C)	114.5880	0.000	1	114.5880	0.000	1	114.5910	0.160	3	114.6629	0.634	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	C(C[3]C[3]N[3]H)(H)3	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CH3)(H)	C(C[3]C[3]N[3]H)(H)3	H(C[3]C[3]N[3]C)	114.7653	0.292	6	114.7653	0.086	6	114.6273	0.126	8	114.6629	0.634	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:1:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	C(C[3]C[3]N[3]H)(H)3	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CH3)(H)	C(C[3]C[3]N[3]H)(H)3	H(C[3]C[3]N[3]C)	114.2130	0.008	2	114.2130	0.000	2	114.6273	0.126	8	114.6629	0.634	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:2:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H)	C(C[3]C[3]N[3]H)(OH)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CHHO)(H){2|C<3>}	C(C[3]C[3]N[3]H)(OH)(H)2	H(C[3]C[3]N[3]C)	115.9970	0.000	1	115.9970	0.000	1	113.8127	9.792	10	113.8127	9.792	10	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:2:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C(C[3]C[3]N[3]H)(OC)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C(C[3]C[3]N[3]H)(OC)(H)2	H(C[3]C[3]N[3]C)	114.8463	0.720	3	114.8463	0.519	3	113.8127	9.792	10	113.8127	9.792	10	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:2:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C(C[3]C[3]N[3]H)(OSi)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CHHO)(H)	C(C[3]C[3]N[3]H)(OSi)(H)2	H(C[3]C[3]N[3]C)	115.1095	0.618	4	115.1095	0.382	4	113.8127	9.792	10	113.8127	9.792	10	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:2:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHO)(H)	C(C[3]C[3]N[3]H)(OC)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHO)(H)	C(C[3]C[3]N[3]H)(OC)(H)2	H(C[3]C[3]N[3]C)	108.5765	4.051	2	108.5765	16.411	2	113.8127	9.792	10	113.8127	9.792	10	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-3:Br-1:H-1:	C[3]-4:	C[3](C[3]N[3]BrC)(N[3]C[3]S)(CBrCH)(H)	C(C[3]C[3]N[3]H)(CNO)(Br)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]BrC)(N[3]C[3]S)(CBrCH)(H)	C(C[3]C[3]N[3]H)(CNO)(Br)(H)	H(C[3]C[3]N[3]C)	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	115.2878	1.247	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCH)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCH)(H)2	H(C[3]C[3]N[3]C)	115.1180	0.000	1	115.1180	0.000	1	115.1180	0.000	1	115.2878	1.247	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:F-1:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]FH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(F)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]FH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(F)(H)	H(C[3]C[3]N[3]C)	116.5640	0.000	1	116.5640	0.000	1	116.5640	0.000	1	115.2878	1.247	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	H(C[3]C[3]N[3]C)	114.2080	0.840	2	114.2080	0.706	2	114.3777	0.439	3	115.2878	1.247	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]HH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]HH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(H)2	H(C[3]C[3]N[3]C)	114.7170	0.000	1	114.7170	0.000	1	114.3777	0.439	3	115.2878	1.247	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H)	C(C[3]C[3]N[3]H)(NCC)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]C[5a]N[3]H)(N[3]C[3]S)(CHHN)(H){2|C<3>}	C(C[3]C[3]N[3]H)(NCC)(H)2	H(C[3]C[3]N[3]C)	117.1120	0.000	1	117.1120	0.000	1	115.3304	1.361	5	115.2878	1.247	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	C(C[3]C[3]N[3]H)(NCH)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	C(C[3]C[3]N[3]H)(NCH)(H)2	H(C[3]C[3]N[3]C)	115.6480	0.000	1	115.6480	0.000	1	115.3304	1.361	5	115.2878	1.247	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	C(C[3]C[3]N[3]H)(NC[6a]H)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHHN)(H)	C(C[3]C[3]N[3]H)(NC[6a]H)(H)2	H(C[3]C[3]N[3]C)	114.9830	0.000	1	114.9830	0.000	1	115.3304	1.361	5	115.2878	1.247	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	C(C[3]C[3]N[3]H)(NHS)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CHHN)(H)	C(C[3]C[3]N[3]H)(NHS)(H)2	H(C[3]C[3]N[3]C)	114.4545	0.718	2	114.4545	0.515	2	115.3304	1.361	5	115.2878	1.247	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:2:1:	4:	C[3]-4:C[3]-3:C-4:H-1:	C[3]-4:C-3:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]HH)(C[3]C[3]C)(CCHO)(H)	C(C[3]C[3]2H)(COO)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)(C[3]C[3]C)(CCHO)(H)	C(C[3]C[3]2H)(COO)(OH)(H)	H(C[3]C[3]2C)	114.2620	0.000	1	114.2620	0.000	1	114.2620	0.000	1	114.9125	0.230	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:2:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-3:N-2:H-1:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	C(C[3]C[3]N[3]H)(COO)(NC)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHN)(H)	C(C[3]C[3]N[3]H)(COO)(NC)(H)	H(C[3]C[3]N[3]C)	114.6394	0.327	5	114.6394	0.107	5	114.6394	0.107	5	114.9125	0.230	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:2:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-3:O-2:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHO)(H)	C(C[3]C[3]N[3]H)(COO)(OC)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHO)(H)	C(C[3]C[3]N[3]H)(COO)(OC)(H)	H(C[3]C[3]N[3]C)	115.5090	0.000	1	115.5090	0.000	1	115.5090	0.000	1	114.9125	0.230	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:2:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]HO)(H){2|C<3>}	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3]N[3]C)	115.4440	0.284	2	115.4440	0.081	2	115.2673	0.074	4	114.9125	0.230	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:2:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]H)(CC[6a]HO)(H){2|C<3>}	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3]N[3]C)	115.1770	0.000	1	115.1770	0.000	1	115.2673	0.074	4	114.9125	0.230	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:2:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HO)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CC[6a]HO)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3]N[3]C)	115.0040	0.000	1	115.0040	0.000	1	115.2673	0.074	4	114.9125	0.230	11	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:3:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:N[6]-3:C-3:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]H)(CN[6]CH)(H)	C(C[3]C[3]N[3]H)(N[6]C[6]2)(CCH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]H)(CN[6]CH)(H)	C(C[3]C[3]N[3]H)(N[6]C[6]2)(CCH)(H)	H(C[3]C[3]N[3]C)	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:3:2:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OC)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OC)	H(C[3]C[3]N[3]C)	114.0140	0.000	1	114.0140	0.000	1	112.3870	5.294	2	112.3870	5.294	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:3:2:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]H)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]H)(CC[6a]2O)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)2(OH)	H(C[3]C[3]N[3]C)	110.7600	0.000	1	110.7600	0.000	1	112.3870	5.294	2	112.3870	5.294	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:4:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:C-4:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]CH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(CH3)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6a]CH)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(CH3)(H)	H(C[3]C[3]N[3]C)	115.3330	0.000	1	115.3330	0.000	1	115.3330	0.000	1	115.3330	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:3:4:2:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6a]-3:P-4:O-2:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H)	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(PO3)(OH)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CC[6a]OP)(H){2|C<3>}	C(C[3]C[3]N[3]H)(C[6a]C[6a]2)(PO3)(OH)	H(C[3]C[3]N[3]C)	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	115.7300	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3,3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H)	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	H(C[3]C[3,3]N[3]C)	C[3](C[3,3]C[3,6]N[3,6]N[3])(N[3]C[3,3]N[5])(CCHH)(H){1|C<4>,1|H<1>,3|C<3>}	C(C[3]C[3,3]N[3]H)(CCHH)(H)2	H(C[3]C[3,3]N[3]C)	116.2840	0.000	1	116.2840	0.000	1	116.2840	0.000	1	115.1382	3.881	12	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]H)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCHO)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]H)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCHO)(H)2	H(C[3]C[3]N[3]C)	113.3545	0.221	2	113.3545	0.049	2	114.1971	0.808	9	115.1382	3.881	12	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(C[3]C[3]N[3]C)	113.4815	0.718	2	113.4815	0.515	2	114.1971	0.808	9	115.1382	3.881	12	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	C(C[3]C[3]N[3]H)(CH3)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CC)(N[3]C[3]S)(CCHH)(H)	C(C[3]C[3]N[3]H)(CH3)(H)2	H(C[3]C[3]N[3]C)	114.4740	0.000	1	114.4740	0.000	1	114.1971	0.808	9	115.1382	3.881	12	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(H)	C(C[3]C[3]N[3]H)(CC[6a]HH)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]H)(CCHH)(H)	C(C[3]C[3]N[3]H)(CC[6a]HH)(H)2	H(C[3]C[3]N[3]C)	115.6450	0.000	1	115.6450	0.000	1	114.1971	0.808	9	115.1382	3.881	12	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	C(C[3]C[3]N[3]H)(CCHH)(H)2	H(C[3]C[3]N[3]C)	115.2510	0.000	1	115.2510	0.000	1	114.1971	0.808	9	115.1382	3.881	12	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	C(C[3]C[3]N[3]H)(CC[3]HH)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHH)(H)	C(C[3]C[3]N[3]H)(CC[3]HH)(H)2	H(C[3]C[3]N[3]C)	114.3660	0.341	2	114.3660	0.116	2	114.1971	0.808	9	115.1382	3.881	12	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:1:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]HH)(H)	C(C[3]C[3]N[3]H)(C[6]C[6]2H)(H)2	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CC[6]HH)(H)	C(C[3]C[3]N[3]H)(C[6]C[6]2H)(H)2	H(C[3]C[3]N[3]C)	118.8000	0.356	2	118.8000	0.127	2	118.8000	0.127	2	115.1382	3.881	12	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-3:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]HH)(C[3]C[3]C)(CCHO)(H)	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)(C[3]C[3]C)(CCHO)(H)	C(C[3]C[3]2H)(CC[5]HH)(OC)(H)	H(C[3]C[3]2C)	113.2450	0.000	1	113.2450	0.000	1	113.2450	0.000	1	114.6304	0.700	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:2:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:N-2:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHN)(H)	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHN)(H)	C(C[3]C[3]N[3]H)(CH3)(NN)(H)	H(C[3]C[3]N[3]C)	115.0140	0.000	1	115.0140	0.000	1	115.0140	0.000	1	114.6304	0.700	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:2:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCHO)(H)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CCHO)(H)	C(C[3]C[3]N[3]H)(CC[6a]CH)(OH)(H)	H(C[3]C[3]N[3]C)	114.5100	0.000	1	114.5100	0.000	1	114.9133	0.598	4	114.6304	0.700	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:2:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(H)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]S)(CCHO)(H)	C(C[3]C[3]N[3]H)(CCCH)(OC)(H)	H(C[3]C[3]N[3]C)	116.0420	0.000	1	116.0420	0.000	1	114.9133	0.598	4	114.6304	0.700	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:2:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHO)(H)	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCHO)(H)	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	H(C[3]C[3]N[3]C)	114.5505	0.308	2	114.5505	0.095	2	114.9133	0.598	4	114.6304	0.700	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:2:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:P-4:O-2:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	C(C[3]C[3]N[3]H)(PO3)(OH)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHOP)(H)	C(C[3]C[3]N[3]H)(PO3)(OH)(H)	H(C[3]C[3]N[3]C)	114.5010	0.000	1	114.5010	0.000	1	114.5010	0.000	1	114.6304	0.700	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:3:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	C(C[3]C[3]N[3]H)(CCHH)(NHS)(H)	H(C[3]C[3]N[3]C)	113.5460	0.000	1	113.5460	0.000	1	113.7400	0.709	3	113.5448	0.439	5	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:3:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCHN)(H)	C(C[3]C[3]N[3]H)(CC[6a]HH)(NHS)(H)	H(C[3]C[3]N[3]C)	113.8370	1.167	2	113.8370	1.361	2	113.7400	0.709	3	113.5448	0.439	5	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:3:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:P-4:N-3:H-1:	C[3]-4:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	C(C[3]C[3]N[3]H)(PO3)(NHS)(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CHNP)(H)	C(C[3]C[3]N[3]H)(PO3)(NHS)(H)	H(C[3]C[3]N[3]C)	113.2520	0.232	2	113.2520	0.054	2	113.2520	0.054	2	113.5448	0.439	5	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:4:1:	4:	C[3,6,6]-4:N[3,6]-3:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H)	C(C[3]C[3,6,6]N[3,6]H)(CH3)2(H)	H(C[3]C[3,6,6]N[3,6]C)	C[3](C[3,6,6]C[6,6]N[3,6]C[6])(N[3,6]C[3,6,6]Si[6])(CCCH)(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C(C[3]C[3,6,6]N[3,6]H)(CH3)2(H)	H(C[3]C[3,6,6]N[3,6]C)	113.6210	0.000	1	113.6210	0.000	1	113.6210	0.000	1	114.6596	0.829	5	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:4:1:	4:	C[3,6]-4:N[3,6]-3:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H)	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	H(C[3]C[3,6]N[3,6]C)	C[3](C[3,6]N[3,6]C[6]H)(N[3,6]C[3,6]C[6])(CCCH)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[3]C[3,6]N[3,6]H)(CH3)2(H)	H(C[3]C[3,6]N[3,6]C)	115.4790	0.457	2	115.4790	0.209	2	115.4790	0.209	2	114.6596	0.829	5	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:4:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCCH)(H)	C(C[3]C[3]N[3]H)(CH3)2(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]C)(CCCH)(H)	C(C[3]C[3]N[3]H)(CH3)2(H)	H(C[3]C[3]N[3]C)	113.8570	0.000	1	113.8570	0.000	1	114.3595	0.505	2	114.6596	0.829	5	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:4:1:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCCH)(H)	C(C[3]C[3]N[3]H)(CH3)2(H)	H(C[3]C[3]N[3]C)	C[3](C[3]N[3]HH)(N[3]C[3]S)(CCCH)(H)	C(C[3]C[3]N[3]H)(CH3)2(H)	H(C[3]C[3]N[3]C)	114.8620	0.000	1	114.8620	0.000	1	114.3595	0.505	2	114.6596	0.829	5	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:4:2:	4:	C[3]-4:N[3]-3:C-4:H-1:	C[3]-4:C-4:C-4:O-2:	C[3]-4:	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H)	C(C[3]C[3]N[3]H)(CH3)2(OH)	H(C[3]C[3]N[3]C)	C[3](C[3]C[6a]N[3]H)(N[3]C[3]C)(CCCO)(H){2|C<3>}	C(C[3]C[3]N[3]H)(CH3)2(OH)	H(C[3]C[3]N[3]C)	113.0750	0.000	1	113.0750	0.000	1	113.0750	0.000	1	113.0750	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:3:4:1:	4:4:4:4:	4:	P[3]-4:P[3]-3:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(C[3]P[3]2H)(CH3)3	H(C[3]P[3]2C)	C[3](P[3]P[3]CC)(P[3]P[3]C)(CC3)(H)	C(C[3]P[3]2H)(CH3)3	H(C[3]P[3]2C)	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:2:1:	3:4:1:1:	4:	C[3]-4:C-4:O[3]-2:H-1:	C[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(H)	C(C[6a]C[6a]O[6a])(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(H)	C(C[6a]C[6a]O[6a])(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	115.3590	0.000	1	115.3590	0.000	1	115.3590	0.000	1	116.1483	0.473	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:2:1:	3:4:1:1:	4:	C[3]-4:C-4:O[3]-2:H-1:	N[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	H(C[3]C[3]O[3]C)	116.5430	0.109	2	116.5430	0.012	2	116.5430	0.012	2	116.1483	0.473	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:2:1:	4:3:2:1:	4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OC)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H){2|C<3>}	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OC)(H)	H(C[3]C[3]O[3]C)	115.4140	0.000	1	115.4140	0.000	1	115.2231	0.222	7	115.2231	0.222	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:2:1:	4:3:2:1:	4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3]O[3]C)	114.7877	0.356	3	114.7877	0.127	3	115.2231	0.222	7	115.2231	0.222	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:2:1:	4:3:2:1:	4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CH)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3]O[3]C)	115.5870	0.236	2	115.5870	0.056	2	115.2231	0.222	7	115.2231	0.222	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:2:1:	4:3:2:1:	4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	H(C[3]C[3]O[3]C)	115.6110	0.000	1	115.6110	0.000	1	115.2231	0.222	7	115.2231	0.222	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:2:1:	4:3:3:1:	4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:N-3:H-1:	C[3]-4:	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(NCH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(NCH)(H)	H(C[3]C[3]O[3]C)	115.3530	0.000	1	115.3530	0.000	1	115.3530	0.000	1	115.3530	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:2:1:	4:4:2:1:	4:	C[3]-4:C-4:O[3]-2:H-1:	C[3,6]-4:C[3]-4:O-2:H-1:	C[3]-4:	C[3](C[3]O[3]CC)(CC[3,6]HO)(O[3]C[3])(H)	C(C[3,6]C[3,6]C[6]O[3])(C[3]C[3]O[3]H)(OH)(H)	H(C[3]C[3]O[3]C)	C[3](C[3]O[3]CC)(CC[3,6]HO)(O[3]C[3])(H)	C(C[3,6]C[3,6]C[6]O[3])(C[3]C[3]O[3]H)(OH)(H)	H(C[3]C[3]O[3]C)	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:3:4:2:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:O-2:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(C[3]C[3]2H)(OH)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(C[3]C[3]2H)(OH)	H(C[3]C[3]2C)	111.4250	0.366	2	111.4250	0.134	2	111.3550	0.082	3	111.3550	0.082	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:3:4:2:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[6a]-3:C[3]-4:O-2:	C[3]-4:	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CC[6a]2O)(H)	C(C[6a]C[6a]2)2(C[3]C[3]2H)(OH)	H(C[3]C[3]2C)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CC[6a]2O)(H){1|H<1>,2|S<2>}	C(C[6a]C[6a]2)2(C[3]C[3]2H)(OH)	H(C[3]C[3]2C)	111.2150	0.000	1	111.2150	0.000	1	111.3550	0.082	3	111.3550	0.082	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	N[6]-3:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CN[6]HH)(H)	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CN[6]HH)(H)	C(N[6]C[6,6]C[6])(C[3]C[3]2H)(H)2	H(C[3]C[3]2C)	116.0383	0.573	4	116.0383	0.328	4	116.0383	0.328	4	116.0383	0.328	4	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(OH)(H)	H(C[3]C[3]2C)	115.1340	0.000	1	115.1340	0.000	1	114.7330	1.226	3	114.7330	1.226	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(OC)(H)	H(C[3]C[3]2C)	115.5840	0.000	1	115.5840	0.000	1	114.7330	1.226	3	114.7330	1.226	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]C[6]H)(CC[6a]HO)(H){1|C<4>,2|C<3>,2|S<2>}	C(C[6a]C[6a]2)(C[3]C[3]2H)(OH)(H)	H(C[3]C[3]2C)	113.4810	0.000	1	113.4810	0.000	1	114.7330	1.226	3	114.7330	1.226	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:N-3:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	H(C[3]C[3]2C)	113.1875	0.599	2	113.1875	0.359	2	113.7480	1.122	3	113.7480	1.122	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:N-3:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]HN)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(NCH)(H)	H(C[3]C[3]2C)	114.8690	0.000	1	114.8690	0.000	1	113.7480	1.122	3	113.7480	1.122	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(H)	H(C[3]C[3]2C)	122.7060	10.796	2	122.7060	116.556	2	117.8476	30.654	7	117.8476	30.654	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHO)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHO)(H)	H(C[3]C[3]2C)	115.9908	0.613	4	115.9908	0.375	4	117.8476	30.654	7	117.8476	30.654	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHS)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[6a]CH)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CHHS)(H)	H(C[3]C[3]2C)	115.5580	0.000	1	115.5580	0.000	1	117.8476	30.654	7	117.8476	30.654	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:4:2:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:P-4:C-2:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[6a]CP)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(PC[6a]2O)(CC)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[6a]CP)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(PC[6a]2O)(CC)	H(C[3]C[3]2C)	114.8960	0.000	1	114.8960	0.000	1	114.8960	0.000	1	114.8960	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	3:4:4:3:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[6a]-3:C[3]-4:C-4:C-3:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(CNN)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[6a]CC)(H)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(CNN)	H(C[3]C[3]2C)	113.4112	0.306	4	113.4112	0.093	4	113.4112	0.093	4	113.4112	0.093	4	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)(H)	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)(H){1|N<3>,4|H<1>}	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	115.6350	0.000	1	114.5460	2.372	2	113.9076	4.030	9	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)(H)	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CH3)(H){1|O<1>,1|O<2>,2|H<1>}	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	113.4570	0.000	1	114.5460	2.372	2	113.9076	4.030	9	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]N[5]C)(CH3)(H)	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]N[5]C)(CH3)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	110.0170	0.000	1	110.0170	0.000	1	113.9076	4.030	9	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]H)2(CH3)(H)	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	C[3](C[3,5]C[3,5]C[5]H)2(CH3)(H){1|C<4>,2|H<1>,2|O<2>}	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	114.9493	1.458	4	114.9493	2.127	4	113.9076	4.030	9	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CH3)(H)	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[5]H)(CH3)(H){2|C<3>,2|O<2>,3|H<1>}	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	112.1340	0.000	1	112.1340	0.000	1	113.9076	4.030	9	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[6a]O[5])(CH3)(H)	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]C[6a]O[5])(CH3)(H){1|H<1>,1|N<3>,5|C<3>}	C(C[3]C[3,5]2H)(H)3	H(C[3]C[3,5]2C)	114.1280	0.000	1	114.1280	0.000	1	113.9076	4.030	9	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CF3)(H)	C(C[3]C[3,5]C[3]H)(F)3	H(C[3]C[3,5]C[3]C)	C[3](C[3,5]C[3]C[5]N[5])(C[3]C[3,5]C[6a]H)(CF3)(H){1|N<3>,1|O<1>,3|C<3>}	C(C[3]C[3,5]C[3]H)(F)3	H(C[3]C[3,5]C[3]C)	113.4370	0.000	1	113.4370	0.000	1	113.1705	0.142	2	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CF3)(H)	C(C[3]C[3,5]C[3]H)(F)3	H(C[3]C[3,5]C[3]C)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CF3)(H){1|N<3>,1|O<1>,2|C<3>}	C(C[3]C[3,5]C[3]H)(F)3	H(C[3]C[3,5]C[3]C)	112.9040	0.000	1	112.9040	0.000	1	113.1705	0.142	2	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CH3)(H)	C(C[3]C[3,5]C[3]H)(H)3	H(C[3]C[3,5]C[3]C)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CH)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C(C[3]C[3,5]C[3]H)(H)3	H(C[3]C[3,5]C[3]C)	113.3680	1.089	2	113.3680	1.186	2	113.4555	0.420	4	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H)	C(C[3]C[3,5]C[3]H)(H)3	H(C[3]C[3,5]C[3]C)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]C[6a]H)(CH3)(H){1|N<3>,1|O<1>,4|C<3>}	C(C[3]C[3,5]C[3]H)(H)3	H(C[3]C[3,5]C[3]C)	113.5430	0.208	2	113.5430	0.043	2	113.4555	0.420	4	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6,6]-4:C[3,6,6]-4:C-4:H-1:	C[3]-4:Cl-1:H-1:H-1:	C[3]-4:	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(CClHH)(H)	C(C[3]C[3,6,6]2H)(Cl)(H)2	H(C[3]C[3,6,6]2C)	C[3](C[3,6,6]C[3,6,6]C[3x6]H)2(CClHH)(H){2|H<1>,4|C<3>}	C(C[3]C[3,6,6]2H)(Cl)(H)2	H(C[3]C[3,6,6]2C)	114.6380	0.000	1	114.6380	0.000	1	114.6380	0.000	1	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3]-4:Cl-1:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CClHH)(H)	C(C[3]C[3,6]2H)(Cl)(H)2	H(C[3]C[3,6]2C)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CClHH)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[3]C[3,6]2H)(Cl)(H)2	H(C[3]C[3,6]2C)	115.2560	0.000	1	115.2560	0.000	1	115.2560	0.000	1	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6]C[6]H)(CH3)(H)	C(C[3]C[3,6]2H)(H)3	H(C[3]C[3,6]2C)	C[3](C[3,6]C[3,6]C[6,6]C[6a])(C[3,6]C[3,6]C[6]H)(CH3)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(C[3]C[3,6]2H)(H)3	H(C[3]C[3,6]2C)	114.9170	0.000	1	114.9170	0.000	1	114.6470	0.146	2	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(CH3)(H)	C(C[3]C[3,6]2H)(H)3	H(C[3]C[3,6]2C)	C[3](C[3,6]C[3,6]C[6]H)(C[3,6]C[3,6]C[6]S)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(C[3]C[3,6]2H)(H)3	H(C[3]C[3,6]2C)	114.3770	0.000	1	114.3770	0.000	1	114.6470	0.146	2	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]B[5,5]C[3]H)(C[3]C[3]HH)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	C[3](C[3]B[5,5]C[3]H)(C[3]C[3]HH)(CF3)(H){1|N<4>,2|O<2>}	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	115.6457	0.173	4	115.6457	0.030	4	113.7975	6.956	11	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	113.0080	0.000	1	113.0080	0.000	1	113.7975	6.956	11	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	113.5510	0.000	1	113.5510	0.000	1	113.7975	6.956	11	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	115.1710	0.000	1	115.1710	0.000	1	113.7975	6.956	11	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]C[3]CS)(C[3]C[3]HH)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	108.7760	0.000	2	108.7760	0.000	2	113.7975	6.956	11	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	114.6930	0.000	1	114.6930	0.000	1	113.7975	6.956	11	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CF3)(H)	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CF3)(H){2|C<3>}	C(C[3]C[3]2H)(F)3	H(C[3]C[3]2C)	115.2140	0.000	1	115.2140	0.000	1	113.7975	6.956	11	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CFFH)(H)	C(C[3]C[3]2H)(F)2(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CFFH)(H)	C(C[3]C[3]2H)(F)2(H)	H(C[3]C[3]2C)	114.8140	0.000	1	114.8140	0.000	1	115.6610	1.435	2	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:F-1:F-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CFFH)(H)	C(C[3]C[3]2H)(F)2(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)(C[3]C[3]HN)(CFFH)(H)	C(C[3]C[3]2H)(F)2(H)	H(C[3]C[3]2C)	116.5080	0.000	1	116.5080	0.000	1	115.6610	1.435	2	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[3,5]C[3]H)(C[3]C[6a]C[3]H)(CH3)(H){2|C<3>,3|C<4>}	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	114.7450	0.399	2	114.7450	0.159	2	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]BrC)(C[3]C[3]CC)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[3]BrC)(C[3]C[3]CC)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	112.1390	0.175	2	112.1390	0.031	2	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	113.7400	0.000	1	113.7400	0.000	1	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	115.1890	0.580	4	115.1890	0.336	4	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	114.2560	0.000	1	114.2560	0.000	1	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)2(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)2(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	114.2615	0.229	4	114.2615	0.053	4	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[5]C)(C[3]C[3]HH)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[3]C[5]C)(C[3]C[3]HH)(CH3)(H){1|C<3>,1|H<1>,1|O<2>}	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	113.8153	0.549	4	113.8153	0.302	4	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]Cl2)(C[3]C[3]CC)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[3]Cl2)(C[3]C[3]CC)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	113.3928	0.892	4	113.3928	0.796	4	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	113.1480	0.000	1	113.1480	0.000	1	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[5a]C[3]O)(C[3]C[6a]C[3]O)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[5a]C[3]O)(C[3]C[6a]C[3]O)(CH3)(H){1|S<2>,3|C<3>}	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	113.9750	0.000	1	113.9750	0.000	1	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)(CH3)(H){4|C<3>}	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	114.4570	0.000	1	114.4570	0.000	1	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CH3)(H){2|C<3>}	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	114.1520	0.000	1	114.1520	0.000	1	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:1:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]O)(C[3]C[3]NO)(CH3)(H)	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]O)(C[3]C[3]NO)(CH3)(H){2|C<3>}	C(C[3]C[3]2H)(H)3	H(C[3]C[3]2C)	113.9450	0.000	1	113.9450	0.000	1	114.0028	0.820	27	113.9947	2.371	59	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3,4]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HH)(CHHO)(H)	C(C[3]C[3,4]C[3]H)(OC[6a])(H)2	H(C[3]C[3,4]C[3]C)	C[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[3]C[3,4]C[3]H)(OC[6a])(H)2	H(C[3]C[3,4]C[3]C)	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(CHHO)(H)	C(C[3]C[3,6]C[3]H)(OH)(H)2	H(C[3]C[3,6]C[3]C)	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(CHHO)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[3]C[3,6]C[3]H)(OH)(H)2	H(C[3]C[3,6]C[3]C)	114.7460	0.000	1	114.7460	0.000	1	115.5627	0.513	3	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H)	C(C[3]C[3,6]C[3]H)(OH)(H)2	H(C[3]C[3,6]C[3]C)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[3]C[3,6]C[3]H)(OH)(H)2	H(C[3]C[3,6]C[3]C)	115.8580	0.000	1	115.9710	0.026	2	115.5627	0.513	3	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H)	C(C[3]C[3,6]C[3]H)(OH)(H)2	H(C[3]C[3,6]C[3]C)	C[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]HH)(CHHO)(H){1|H<1>,1|O<2>,2|C<4>}	C(C[3]C[3,6]C[3]H)(OH)(H)2	H(C[3]C[3,6]C[3]C)	116.0840	0.000	1	115.9710	0.026	2	115.5627	0.513	3	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]2H)(C[3]C[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]2H)(C[3]C[3]HH)(CHHO)(H){1|H<1>,2|C<4>}	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	115.7530	0.355	2	115.7530	0.126	2	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]BrH)(C[3]C[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(OC[6a])(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]BrH)(C[3]C[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(OC[6a])(H)2	H(C[3]C[3]2C)	116.7850	0.000	1	116.7850	0.000	1	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	114.8070	0.000	1	114.8070	0.000	1	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHHO)(H)	C(C[3]C[3]2H)(OH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHHO)(H)	C(C[3]C[3]2H)(OH)(H)2	H(C[3]C[3]2C)	113.3090	0.577	2	113.3090	0.333	2	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CF)(C[3]C[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CF)(C[3]C[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	115.0370	0.000	1	115.0370	0.000	1	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	114.3760	0.000	1	114.3760	0.000	1	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)2(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)2(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	113.5025	0.566	2	113.5025	0.321	2	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)2(CHHO)(H)	C(C[3]C[3]2H)(OSi)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)2(CHHO)(H)	C(C[3]C[3]2H)(OSi)(H)2	H(C[3]C[3]2C)	113.5950	0.297	2	113.5950	0.088	2	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CHHO)(H)	C(C[3]C[3]2H)(OH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]Cl2)(C[3]C[3]CH)(CHHO)(H)	C(C[3]C[3]2H)(OH)(H)2	H(C[3]C[3]2C)	114.2867	0.320	4	114.2867	0.103	4	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	116.2864	0.147	5	116.2864	0.021	5	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CHHO)(H)	C(C[3]C[3]2H)(OC[6a])(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CHHO)(H)	C(C[3]C[3]2H)(OC[6a])(H)2	H(C[3]C[3]2C)	115.9877	0.662	7	115.9877	0.439	7	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CHHO)(H)	C(C[3]C[3]2H)(OS)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CHHO)(H)	C(C[3]C[3]2H)(OS)(H)2	H(C[3]C[3]2C)	115.7350	0.000	1	115.7350	0.000	1	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]N[5]H)(C[3]C[3]HH)(CHHO)(H){1|C<3>,1|C<4>}	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	115.4340	0.000	1	115.4340	0.000	1	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]H)(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]B[5]C[3]H)(CHHO)(H){2|C<3>,2|O<2>}	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	114.3940	0.000	1	114.3940	0.000	1	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]FH)(CHHO)(H)	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]FH)(CHHO)(H){2|C<3>}	C(C[3]C[3]2H)(OC)(H)2	H(C[3]C[3]2C)	115.8310	1.063	2	115.8310	1.131	2	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)2(CHHO)(H)	C(C[3]C[3]2H)(OH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)2(CHHO)(H){4|C<3>}	C(C[3]C[3]2H)(OH)(H)2	H(C[3]C[3]2C)	115.0795	0.152	4	115.0795	0.023	4	115.1719	1.182	37	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:1:1:	4:	P[3]-4:C[3]-4:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CHHO)(H)	C(C[3]C[3]P[3]H)(OSi)(H)2	H(C[3]C[3]P[3]C)	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CHHO)(H){4|C<3>}	C(C[3]C[3]P[3]H)(OSi)(H)2	H(C[3]C[3]P[3]C)	115.3890	0.000	1	115.3890	0.000	1	115.3890	0.000	1	115.1609	1.158	42	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:2:2:1:	4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:O-2:O-2:H-1:	C[3]-4:	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CHOO)(H)	C(C[3]C[3,5]2H)(OC)2(H)	H(C[3]C[3,5]2C)	C[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)(CHOO)(H){2|C<3>,2|H<1>}	C(C[3]C[3,5]2H)(OC)2(H)	H(C[3]C[3,5]2C)	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	113.0960	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CHHN)(H)	C(C[3]C[3,5]C[3]H)(NHS)(H)2	H(C[3]C[3,5]C[3]C)	C[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CH)(CHHN)(H){1|C<4>,1|O<1>,2|N<3>}	C(C[3]C[3,5]C[3]H)(NHS)(H)2	H(C[3]C[3,5]C[3]C)	114.5460	0.000	1	114.5460	0.000	1	114.5460	0.000	1	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3]-4:C[6a]-3:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(CC[6a]HH)(H)	C(C[3]C[3,6]2H)(C[6a]C[6a]2)(H)2	H(C[3]C[3,6]2C)	C[3](C[3,6]C[3,6]C[6a]C[6])(C[3,6]C[6,6a]C[3,6]H)(CC[6a]HH)(H){1|H<1>,2|C<4>,4|C<3>}	C(C[3]C[3,6]2H)(C[6a]C[6a]2)(H)2	H(C[3]C[3,6]2C)	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CCO)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CCO)(H)2	H(C[3]C[3]2C)	114.3800	0.000	1	114.3800	0.000	1	114.9941	1.084	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCO)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCO)(H)2	H(C[3]C[3]2C)	115.9540	0.000	1	115.9540	0.000	1	114.9941	1.084	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H)	C(C[3]C[3]2H)(CCH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]2H)(CCH)(H)2	H(C[3]C[3]2C)	113.2210	0.000	1	113.2210	0.000	1	114.9941	1.084	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CCHH)(H)	C(C[3]C[3]2H)(CC[6a]C)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CCHH)(H)	C(C[3]C[3]2H)(CC[6a]C)(H)2	H(C[3]C[3]2C)	115.7420	0.563	4	115.7420	0.317	4	114.9941	1.084	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCHH)(H)	C(C[3]C[3]2H)(CCH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]2C[3])(C[3]C[6a]C[3]H)(CCHH)(H){6|C<3>}	C(C[3]C[3]2H)(CCH)(H)2	H(C[3]C[3]2C)	112.9560	0.000	1	112.9560	0.000	1	114.9941	1.084	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CCH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)(CCHH)(H){2|C<3>}	C(C[3]C[3]2H)(CCH)(H)2	H(C[3]C[3]2C)	115.3220	0.000	1	115.3220	0.000	1	114.9941	1.084	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CC[6a]O)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHH)(H){2|C<3>}	C(C[3]C[3]2H)(CC[6a]O)(H)2	H(C[3]C[3]2C)	115.0510	0.000	1	115.0510	0.000	1	114.9941	1.084	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(COO)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHH)(H){2|C<3>}	C(C[3]C[3]2H)(COO)(H)2	H(C[3]C[3]2C)	115.0385	0.170	2	115.0385	0.029	2	114.9941	1.084	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6]-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6]HH)(H)	C(C[3]C[3]2H)(C[6]C[6]2)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CC[6]HH)(H){2|C<3>}	C(C[3]C[3]2H)(C[6]C[6]2)(H)2	H(C[3]C[3]2C)	114.3920	0.000	1	114.3920	0.000	1	114.3920	0.000	1	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHHN)(H)	C(C[3]C[3]2H)(NCC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CHHN)(H)	C(C[3]C[3]2H)(NCC)(H)2	H(C[3]C[3]2C)	113.3420	0.557	2	113.3420	0.310	2	115.1609	0.944	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHHN)(H)	C(C[3]C[3]2H)(NCS)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CHHN)(H)	C(C[3]C[3]2H)(NCS)(H)2	H(C[3]C[3]2C)	115.6230	0.000	1	115.6230	0.000	1	115.1609	0.944	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CHHN)(H)	C(C[3]C[3]2H)(NC[6]H)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CHHN)(H)	C(C[3]C[3]2H)(NC[6]H)(H)2	H(C[3]C[3]2C)	115.3495	0.305	4	115.3495	0.093	4	115.1609	0.944	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CHHN)(H)	C(C[3]C[3]2H)(NC[6a]C)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CHHN)(H)	C(C[3]C[3]2H)(NC[6a]C)(H)2	H(C[3]C[3]2C)	115.5690	0.000	1	115.5690	0.000	1	115.1609	0.944	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CHHN)(H)	C(C[3]C[3]2H)(NC[6a]H)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CHHN)(H)	C(C[3]C[3]2H)(NC[6a]H)(H)2	H(C[3]C[3]2C)	116.3000	0.065	2	116.3000	0.004	2	115.1609	0.944	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHHN)(H)	C(C[3]C[3]2H)(NCC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHHN)(H){2|C<3>}	C(C[3]C[3]2H)(NCC)(H)2	H(C[3]C[3]2C)	114.9310	0.000	1	114.9310	0.000	1	115.1609	0.944	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHHN)(H)	C(C[3]C[3]2H)(NCH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CHHN)(H){2|C<3>}	C(C[3]C[3]2H)(NCH)(H)2	H(C[3]C[3]2C)	115.1260	0.000	1	115.1260	0.000	1	115.1609	0.944	12	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N[5]-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CN[5]HH)(H)	C(C[3]C[3]2H)(N[5]C[5]2)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CN[5]HH)(H)	C(C[3]C[3]2H)(N[5]C[5]2)(H)2	H(C[3]C[3]2C)	113.3137	0.338	3	113.3137	0.114	3	113.3137	0.114	3	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N[6]-3:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CN[6]HH)(H)	C(C[3]C[3]2H)(N[6]C[6]2)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CN[6]HH)(H)	C(C[3]C[3]2H)(N[6]C[6]2)(H)2	H(C[3]C[3]2C)	115.8310	0.000	1	115.8310	0.000	1	115.8310	0.000	1	114.8417	1.135	31	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:2:1:	4:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(CC[6a]HO)(H)	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3,5]C[3]C)	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(CC[6a]HO)(H){4|C<3>}	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(OH)(H)	H(C[3]C[3,5]C[3]C)	114.4320	0.000	1	114.4320	0.000	1	114.4320	0.000	1	115.8748	3.190	4	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHO)(H)	C(C[3]C[3]2H)(CCO)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHO)(H)	C(C[3]C[3]2H)(CCO)(OH)(H)	H(C[3]C[3]2C)	114.5580	0.000	1	114.5580	0.000	1	116.3557	3.397	3	115.8748	3.190	4	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CCHO)(H)	C(C[3]C[3]2H)(CBrP)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CCHO)(H)	C(C[3]C[3]2H)(CBrP)(OC)(H)	H(C[3]C[3]2C)	116.2680	0.000	1	116.2680	0.000	1	116.3557	3.397	3	115.8748	3.190	4	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CCHO)(H)	C(C[3]C[3]2H)(CCH)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CCHO)(H)	C(C[3]C[3]2H)(CCH)(OH)(H)	H(C[3]C[3]2C)	118.2410	0.000	1	118.2410	0.000	1	116.3557	3.397	3	115.8748	3.190	4	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:3:1:	4:	C[3]-4:C[3,6]-4:C-4:H-1:	C[3]-4:C[6a]-3:C[6a]-3:H-1:	C[3]-4:	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CC[6a]2H)(H)	C(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)2(H)	H(C[3]C[3,6]C[3]C)	C[3](C[3]C[3,6]C[6a]H)(C[3,6]C[3]C[6]2)(CC[6a]2H)(H){2|C<3>,2|O<1>,2|O<2>}	C(C[3]C[3,6]C[3]H)(C[6a]C[6a]2)2(H)	H(C[3]C[3,6]C[3]C)	112.1900	0.000	1	112.1900	0.000	1	112.1900	0.000	1	115.2301	2.653	8	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:C-3:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCCH)(H)	C(C[3]C[3]2H)(CC[5]O)(CCH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCCH)(H)	C(C[3]C[3]2H)(CC[5]O)(CCH)(H)	H(C[3]C[3]2C)	116.7817	0.505	3	116.7817	0.255	3	116.7817	0.255	3	115.2301	2.653	8	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:N-3:H-1:	C[3]-4:	C[3](C[3]C[3]CH)2(CCHN)(H)	C(C[3]C[3]2H)(COO)(NCH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)2(CCHN)(H)	C(C[3]C[3]2H)(COO)(NCH)(H)	H(C[3]C[3]2C)	114.8265	0.561	4	114.8265	0.315	4	114.8265	0.315	4	115.2301	2.653	8	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCCH)(H)	C(C[3]C[3]2H)(CC[5]H)(CH3)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCCH)(H)	C(C[3]C[3]2H)(CC[5]H)(CH3)(H)	H(C[3]C[3]2C)	112.7900	1.092	2	112.7900	1.192	2	113.9833	4.868	3	113.9833	4.868	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-3:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCCH)(H)	C(C[3]C[3]2H)(CC[5]O)(CCHO)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCCH)(H)	C(C[3]C[3]2H)(CC[5]O)(CCHO)(H)	H(C[3]C[3]2C)	116.3700	0.000	1	116.3700	0.000	1	113.9833	4.868	3	113.9833	4.868	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:4:2:	4:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6a]-3:C-4:O-2:	C[3]-4:	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(CC[6a]CO)(H)	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(CH3)(OH)	H(C[3]C[3,5]C[3]C)	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]HH)(CC[6a]CO)(H){4|C<3>}	C(C[3]C[3,5]C[3]H)(C[6a]C[6a]2)(CH3)(OH)	H(C[3]C[3,5]C[3]C)	112.3670	0.000	1	112.3670	0.000	1	112.3670	0.000	1	112.7755	0.334	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:3:4:2:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6]-3:P-4:C-2:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[6]CP)(H)	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[6]CP)(H)	C(C[3]C[3]2H)(C[6]C[6]2)(PC[6a]2O)(CC)	H(C[3]C[3]2C)	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	112.7755	0.334	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)(CCHH)(H)	C(C[3]C[3,5]2H)(CCHH)(H)2	H(C[3]C[3,5]2C)	C[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	C(C[3]C[3,5]2H)(CCHH)(H)2	H(C[3]C[3,5]2C)	114.3120	0.066	2	114.3120	0.004	2	114.6610	0.368	3	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]2H)(CCHH)(H)	C(C[3]C[3,5]2H)(CCHH)(H)2	H(C[3]C[3,5]2C)	C[3](C[3,5]C[3,5]C[6a]C[5])(C[3,5]C[3,5]2H)(CCHH)(H){2|C<4>,2|H<1>,3|C<3>}	C(C[3]C[3,5]2H)(CCHH)(H)2	H(C[3]C[3,5]2C)	115.3590	0.000	1	115.3590	0.000	1	114.6610	0.368	3	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:N-4:H-1:H-1:	C[3]-4:	C[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CHHN)(H)	C(C[3]C[3,5]2H)(NCCH)(H)2	H(C[3]C[3,5]2C)	C[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CHHN)(H){1|C<3>,2|C<4>,2|H<1>}	C(C[3]C[3,5]2H)(NCCH)(H)2	H(C[3]C[3,5]2C)	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3,6]-4:C[3,6]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3,6]C[3,6]P[6]C)(C[3,6]C[3,6]S[6]N)(CCHH)(H)	C(C[3]C[3,6]2H)(CH3)(H)2	H(C[3]C[3,6]2C)	C[3](C[3,6]C[3,6]P[6]C)(C[3,6]C[3,6]S[6]N)(CCHH)(H){4|C<3>}	C(C[3]C[3,6]2H)(CH3)(H)2	H(C[3]C[3,6]2C)	112.8470	0.000	1	112.8470	0.000	1	112.8470	0.000	1	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH)(CCHH)(H){3|C<4>}	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	114.3150	0.035	2	114.3150	0.001	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CCCH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CCCH)(H)2	H(C[3]C[3]2C)	113.4430	0.222	2	113.4430	0.049	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	113.7297	0.451	6	113.7297	0.203	6	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(C[3]C[3]2C)	114.5023	0.985	3	114.5023	0.970	3	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CC[3]HH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CC[3]HH)(H)2	H(C[3]C[3]2C)	113.2265	0.023	2	113.2265	0.001	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(C[3]C[3]2C)	115.0385	0.072	4	115.0385	0.005	4	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CC[5]HH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CC[5]HH)(H)2	H(C[3]C[3]2C)	114.6815	0.221	2	114.6815	0.049	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CC[6]HH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CC[6]HH)(H)2	H(C[3]C[3]2C)	113.2355	0.108	2	113.2355	0.012	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]FF)(CCHH)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]FF)(CCHH)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(C[3]C[3]2C)	113.3810	0.020	2	113.3810	0.000	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	114.3920	0.021	2	114.3920	0.000	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	114.5010	0.489	2	114.5010	0.239	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CH3)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CH3)(H)2	H(C[3]C[3]2C)	114.1130	0.000	1	114.1130	0.000	1	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CHHO)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CHHO)(H)2	H(C[3]C[3]2C)	115.1495	0.118	2	115.1495	0.014	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HI)(CCHH)(H)	C(C[3]C[3]2H)(CH3)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HI)(CCHH)(H)	C(C[3]C[3]2H)(CH3)(H)2	H(C[3]C[3]2C)	112.2600	0.000	1	112.2600	0.000	1	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	114.5120	0.000	1	114.5120	0.000	1	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CN)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CN[5]CH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CN)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CN[5]CH)(H)2	H(C[3]C[3]2C)	115.8510	0.000	1	115.8510	0.000	1	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CO)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CO)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	115.1835	0.013	2	115.1835	0.000	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CO)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CC[6a]HO)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CO)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CC[6a]HO)(H)2	H(C[3]C[3]2C)	114.1200	0.168	2	114.1200	0.028	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[5]C)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CC3)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]C[5]C)(C[3]C[3]HH)(CCHH)(H){1|O<2>,2|C<4>}	C(C[3]C[3]2H)(CC3)(H)2	H(C[3]C[3]2C)	113.8563	0.184	3	113.8563	0.034	3	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[5]H)(C[3]C[3]CC)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]C[5]H)(C[3]C[3]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	113.7430	0.000	1	115.6010	46.576	5	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[5]H)(C[3]C[3]CC)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]C[5]H)(C[3]C[3]CC)(CCHH)(H){1|H<1>,2|C<4>}	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	116.0655	7.789	4	115.6010	46.576	5	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CCHH)(H){1|C<3>,1|N<2>}	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	115.3140	0.000	1	115.3140	0.000	1	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H)	C(C[3]C[3]2H)(CCCH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H){1|H<1>,2|C<4>}	C(C[3]C[3]2H)(CCCH)(H)2	H(C[3]C[3]2C)	113.0040	0.443	7	113.0040	0.197	7	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(C[3]C[3]2C)	112.6870	0.000	1	112.9580	0.083	3	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H)	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]C[6]H)(C[3]C[3]CC)(CCHH)(H){1|H<1>,2|C<4>}	C(C[3]C[3]2H)(CC[5]CH)(H)2	H(C[3]C[3]2C)	113.0935	0.238	2	112.9580	0.083	3	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CCHH)(H)	C(C[3]C[3]2H)(CC3)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CCHH)(H)	C(C[3]C[3]2H)(CC3)(H)2	H(C[3]C[3]2C)	115.4043	0.268	4	115.4043	0.072	4	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]N[6]C)(C[3]C[3]FF)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]N[6]C)(C[3]C[3]FF)(CCHH)(H){1|H<1>,2|C<4>}	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	114.3900	0.228	2	114.3900	0.052	2	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCHH)(H){2|C<3>}	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	116.3360	0.000	1	116.3360	0.000	1	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CH3)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CCHH)(H){2|C<3>}	C(C[3]C[3]2H)(CH3)(H)2	H(C[3]C[3]2C)	114.4680	0.000	1	114.4680	0.000	1	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCHH)(H)	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CCHH)(H){2|C<3>}	C(C[3]C[3]2H)(CCHH)(H)2	H(C[3]C[3]2C)	114.6830	0.000	1	114.6830	0.000	1	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CCHO)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCHH)(H){2|C<3>}	C(C[3]C[3]2H)(CCHO)(H)2	H(C[3]C[3]2C)	115.5250	0.000	1	115.5250	0.000	1	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCHH)(H)	C(C[3]C[3]2H)(CHHO)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCHH)(H){2|C<3>}	C(C[3]C[3]2H)(CHHO)(H)2	H(C[3]C[3]2C)	114.9003	0.803	3	114.9003	0.645	3	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CCHH)(H)	C(C[3]C[3]2H)(CHHO)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]N)(C[3]C[3]CH)(CCHH)(H){2|C<3>}	C(C[3]C[3]2H)(CHHO)(H)2	H(C[3]C[3]2C)	114.5000	0.000	1	114.5000	0.000	1	114.2977	3.575	72	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[6]HH)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[6]HH)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(H)2	H(C[3]C[3]2C)	115.1530	0.000	1	115.1530	0.000	1	115.1530	0.000	1	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N[6]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CN[6]HH)(H)	C(C[3]C[3]2H)(N[6]C[6]2H)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CN[6]HH)(H)	C(C[3]C[3]2H)(N[6]C[6]2H)(H)2	H(C[3]C[3]2C)	116.1760	0.000	1	116.1760	0.000	1	116.1760	0.000	1	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:P-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CHHP)(H)	C(C[3]C[3]2H)(PRhCC)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CHHP)(H)	C(C[3]C[3]2H)(PRhCC)(H)2	H(C[3]C[3]2C)	115.3615	0.515	2	115.3615	0.266	2	115.3615	0.266	2	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[5]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CC[5]HH)(H)	C(C[5]C[5,5]C[5]O)(C[3]C[3]2H)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CC[5]HH)(H)	C(C[5]C[5,5]C[5]O)(C[3]C[3]2H)(H)2	H(C[3]C[3]2C)	114.8640	0.000	1	114.8640	0.000	1	114.8640	0.000	1	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	N[6]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CN[6]HH)(H)	C(N[6]C[6,6]C[6]C)(C[3]C[3]2H)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CN[6]HH)(H)	C(N[6]C[6,6]C[6]C)(C[3]C[3]2H)(H)2	H(C[3]C[3]2C)	116.9100	0.123	2	116.9100	0.015	2	116.5329	0.476	7	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	N[6]-4:C[3]-4:H-1:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CN[6]HH)(H)	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CN[6]HH)(H)	C(N[6]C[6,6]C[6]H)(C[3]C[3]2H)(H)2	H(C[3]C[3]2C)	116.3820	0.782	5	116.3820	0.611	5	116.5329	0.476	7	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:1:1:	4:	P[3]-4:C[3]-4:C-4:H-1:	C[3]-4:B-4:H-1:H-1:	C[3]-4:	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CBHH)(H)	C(C[3]C[3]P[3]H)(BC[6a]3)(H)2	H(C[3]C[3]P[3]C)	C[3](P[3]C[6a]2C[3])(C[3]P[3]CH)(CBHH)(H){4|C<3>}	C(C[3]C[3]P[3]H)(BC[6a]3)(H)2	H(C[3]C[3]P[3]C)	115.1900	0.000	1	115.1900	0.000	1	115.1900	0.000	1	114.5668	3.406	90	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3]-4:P-4:O-2:H-1:	C[3]-4:	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(CHOP)(H)	C(C[3]C[3,6]C[3]H)(PO3)(OH)(H)	H(C[3]C[3,6]C[3]C)	C[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)(CHOP)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[3]C[3,6]C[3]H)(PO3)(OH)(H)	H(C[3]C[3,6]C[3]C)	115.5970	0.000	1	115.5970	0.000	1	115.5970	0.000	1	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]BrH)(C[3]C[3]CC)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]BrH)(C[3]C[3]CC)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(C[3]C[3]2C)	114.0640	0.000	1	114.0640	0.000	1	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]HI)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]HI)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(C[3]C[3]2C)	113.8340	0.000	1	113.8340	0.000	1	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	H(C[3]C[3]2C)	114.4700	0.346	2	114.4700	0.120	2	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OH)(H)	H(C[3]C[3]2C)	114.2370	0.000	1	114.2370	0.000	1	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OP)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OP)(H)	H(C[3]C[3]2C)	115.4510	0.000	1	115.4510	0.000	1	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CC[6]HH)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CC[6]HH)(OC)(H)	H(C[3]C[3]2C)	115.2320	1.513	2	115.2320	2.290	2	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CH3)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CH3)(OC)(H)	H(C[3]C[3]2C)	116.0097	1.123	3	116.0097	1.261	3	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CHHO)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CHHO)(OH)(H)	H(C[3]C[3]2C)	115.0870	0.000	2	115.0870	0.000	2	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CCHO)(H)	C(C[3]C[3]2H)(CH3)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HS)(CCHO)(H)	C(C[3]C[3]2H)(CH3)(OH)(H)	H(C[3]C[3]2C)	113.9940	0.000	1	113.9940	0.000	1	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]ClH)(C[3]C[3]CC)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]ClH)(C[3]C[3]CC)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(C[3]C[3]2C)	114.2610	0.000	1	114.2610	0.000	1	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]ClH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CHHO)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]ClH)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CHHO)(OH)(H)	H(C[3]C[3]2C)	114.9120	0.000	1	114.9120	0.000	1	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHO)(H)	C(C[3]C[3]2H)(CH3)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHO)(H){2|C<3>}	C(C[3]C[3]2H)(CH3)(OC)(H)	H(C[3]C[3]2C)	114.7650	0.000	1	114.7650	0.000	1	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCHO)(H)	C(C[3]C[3]2H)(CCCH)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCHO)(H){2|C<3>}	C(C[3]C[3]2H)(CCCH)(OH)(H)	H(C[3]C[3]2C)	116.4590	0.000	1	116.4590	0.000	1	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HO)(CCHO)(H)	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HO)(CCHO)(H){2|C<3>}	C(C[3]C[3]2H)(CCHH)(OC)(H)	H(C[3]C[3]2C)	116.2260	0.000	1	116.2260	0.000	1	115.0426	0.940	19	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[3]-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[3]HO)(H)	C(C[3]C[3]2H)2(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[3]HO)(H)	C(C[3]C[3]2H)2(OC)(H)	H(C[3]C[3]2C)	115.4800	1.184	4	115.4800	1.402	4	115.2724	0.686	8	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[3]-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[3]HO)(H)	C(C[3]C[3]2H)2(OS)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[3]HO)(H)	C(C[3]C[3]2H)2(OS)(H)	H(C[3]C[3]2C)	115.2450	0.014	2	115.2450	0.000	2	115.2724	0.686	8	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[3]-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[3]HO)(H)	C(C[3]C[3]2H)2(OSn)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[3]HO)(H)	C(C[3]C[3]2H)2(OSn)(H)	H(C[3]C[3]2C)	114.8845	0.343	2	114.8845	0.118	2	115.2724	0.686	8	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[5]-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CC[5]HO)(H)	C(C[3]C[3]2H)(C[5]C[5]2C)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CC[5]HO)(H)	C(C[3]C[3]2H)(C[5]C[5]2C)(OH)(H)	H(C[3]C[3]2C)	112.2900	0.000	1	112.2900	0.000	1	112.2900	0.000	1	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CC[6]HO)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CC[6]HO)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	H(C[3]C[3]2C)	113.9120	0.000	1	113.9120	0.000	1	114.3187	0.126	3	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[6]HO)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[6]HO)(H)	C(C[3]C[3]2H)(C[6]C[6]2C)(OH)(H)	H(C[3]C[3]2C)	114.5630	0.000	1	114.5630	0.000	1	114.3187	0.126	3	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6]-4:O-2:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]FH)(CC[6]HO)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(OC)(H)	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]FH)(CC[6]HO)(H){2|C<3>}	C(C[3]C[3]2H)(C[6]C[6]2H)(OC)(H)	H(C[3]C[3]2C)	114.4810	0.000	1	114.4810	0.000	1	114.3187	0.126	3	114.9635	1.021	32	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:2:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-2:O-2:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(H)	C(C[3]C[3]2H)(CC3)(CC)(OH)	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(H){2|C<3>}	C(C[3]C[3]2H)(CC3)(CC)(OH)	H(C[3]C[3]2C)	113.6040	0.000	1	113.6040	0.000	1	113.7363	0.282	3	113.7363	0.282	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:2:2:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-2:O-2:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(H)	C(C[3]C[3]2H)(CCCH)(CC)(OH)	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCO)(H){2|C<3>}	C(C[3]C[3]2H)(CCCH)(CC)(OH)	H(C[3]C[3]2C)	113.8025	0.733	2	113.8025	0.538	2	113.7363	0.282	3	113.7363	0.282	3	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-3:H-1:	C[3]-4:	C[3](C[3]C[3]Br2)(C[3]C[3]CC)(CCCH)(H)	C(C[3]C[3]2H)(CC3)(CCO)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]Br2)(C[3]C[3]CC)(CCCH)(H)	C(C[3]C[3]2H)(CC3)(CCO)(H)	H(C[3]C[3]2C)	113.6455	0.037	2	113.6455	0.001	2	114.6939	1.508	8	114.8775	1.113	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-3:H-1:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCCH)(H)	C(C[3]C[3]2H)(CH3)(CNO)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCCH)(H)	C(C[3]C[3]2H)(CH3)(CNO)(H)	H(C[3]C[3]2C)	116.4340	0.000	1	116.4340	0.000	1	114.6939	1.508	8	114.8775	1.113	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-3:H-1:	C[3]-4:	C[3](C[3]C[3]Cl2)(C[3]C[3]CC)(CCCH)(H)	C(C[3]C[3]2H)(CC3)(CCO)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]Cl2)(C[3]C[3]CC)(CCCH)(H)	C(C[3]C[3]2H)(CC3)(CCO)(H)	H(C[3]C[3]2C)	113.5335	0.107	2	113.5335	0.011	2	114.6939	1.508	8	114.8775	1.113	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-3:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CCCH)(H)	C(C[3]C[3]2H)(CC[6a]HH)(CNO)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CCCH)(H)	C(C[3]C[3]2H)(CC[6a]HH)(CNO)(H)	H(C[3]C[3]2C)	115.7840	0.000	2	115.7840	0.000	2	114.6939	1.508	8	114.8775	1.113	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-3:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCH)(H)	C(C[3]C[3]2H)(CCCH)(CNO)(H)	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CCCH)(H){2|C<3>}	C(C[3]C[3]2H)(CCCH)(CNO)(H)	H(C[3]C[3]2C)	115.1910	0.000	1	115.1910	0.000	1	114.6939	1.508	8	114.8775	1.113	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[3]-4:N-3:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[3]HN)(H)	C(C[3]C[3]2H)2(NC[5]H)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[3]HN)(H)	C(C[3]C[3]2H)2(NC[5]H)(H)	H(C[3]C[3]2C)	114.9770	1.345	2	114.9770	1.809	2	114.9770	1.809	2	114.8775	1.113	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6]-4:C-3:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CC[6]CH)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(COO)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CC[6]CH)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(COO)(H)	H(C[3]C[3]2C)	114.7710	0.000	1	114.7710	0.000	1	114.7710	0.000	1	114.8775	1.113	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-4:C-3:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CCHN)(H)	C(C[3]C[3]2H)(NCHH)(CCH)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CCHN)(H)	C(C[3]C[3]2H)(NCHH)(CCH)(H)	H(C[3]C[3]2C)	115.2730	1.071	2	115.2730	1.146	2	115.3363	0.585	3	114.8775	1.113	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:3:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-4:C-3:H-1:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHN)(H)	C(C[3]C[3]2H)(NH3)(COO)(H)	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CCHN)(H){2|C<3>}	C(C[3]C[3]2H)(NH3)(COO)(H)	H(C[3]C[3]2C)	115.4630	0.000	1	115.4630	0.000	1	115.3363	0.585	3	114.8775	1.113	14	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:3:2:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[3]-4:C-3:O-2:	C[3]-4:	C[3](C[3]C[3]HH)2(CC[3]CO)(H)	C(C[3]C[3]2H)2(COO)(OH)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CC[3]CO)(H)	C(C[3]C[3]2H)2(COO)(OH)	H(C[3]C[3]2C)	114.0635	0.596	2	114.0635	0.355	2	114.0635	0.355	2	114.0635	0.355	2	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3,5]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(CCCH)(H)	C(C[3]C[3,5]C[3]H)(CH3)2(H)	H(C[3]C[3,5]C[3]C)	C[3](C[3,5]C[5,6a]C[3]C[5])(C[3]C[3,5]CC)(CCCH)(H){1|H<1>,3|C<3>}	C(C[3]C[3,5]C[3]H)(CH3)2(H)	H(C[3]C[3,5]C[3]C)	112.9360	0.000	1	112.9360	0.000	1	112.9360	0.000	1	113.4030	1.720	8	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCCH)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCCH)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	H(C[3]C[3]2C)	112.4310	0.000	1	112.4310	0.000	1	113.4697	1.965	7	113.4030	1.720	8	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCCH)(H)	C(C[3]C[3]2H)(CHHO)(CH3)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CC)(C[3]C[3]CH)(CCCH)(H)	C(C[3]C[3]2H)(CHHO)(CH3)(H)	H(C[3]C[3]2C)	112.3240	0.000	1	112.3240	0.000	1	113.4697	1.965	7	113.4030	1.720	8	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]CS)(C[3]C[3]HH)(CCCH)(H)	C(C[3]C[3]2H)(CH3)2(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]CS)(C[3]C[3]HH)(CCCH)(H)	C(C[3]C[3]2H)(CH3)2(H)	H(C[3]C[3]2C)	111.7450	0.000	1	111.7450	0.000	1	113.4697	1.965	7	113.4030	1.720	8	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]C[5]H)(C[3]C[3]CC)(CCCH)(H)	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]C[5]H)(C[3]C[3]CC)(CCCH)(H){1|C<3>,2|O<2>}	C(C[3]C[3]2H)(CC[5]HO)(CH3)(H)	H(C[3]C[3]2C)	113.2890	0.000	1	113.2890	0.000	1	113.4697	1.965	7	113.4030	1.720	8	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]HH)(C[3]C[3]HI)(CCCH)(H)	C(C[3]C[3]2H)(CCHO)(CH3)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)(C[3]C[3]HI)(CCCH)(H)	C(C[3]C[3]2H)(CCHO)(CH3)(H)	H(C[3]C[3]2C)	114.0970	0.000	1	114.0970	0.000	1	113.4697	1.965	7	113.4030	1.720	8	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:1:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:	C[3](C[3]C[3]HH)2(CCCH)(H)	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CCCH)(H)	C(C[3]C[3]2H)(CC[6a]CO)(CH3)(H)	H(C[3]C[3]2C)	115.2010	0.048	2	115.2010	0.002	2	113.4697	1.965	7	113.4030	1.720	8	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:2:	4:	C[3,6]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-4:O-2:	C[3]-4:	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCCO)(H)	C(C[3]C[3,6]C[3]H)(CH3)2(OH)	H(C[3]C[3,6]C[3]C)	C[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]HH)(CCCO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[3]C[3,6]C[3]H)(CH3)2(OH)	H(C[3]C[3,6]C[3]C)	112.6940	0.000	1	112.6940	0.000	1	112.6940	0.000	1	113.6287	0.323	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:2:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-4:O-2:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCCO)(H)	C(C[3]C[3]2H)(CH3)2(OH)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CCCO)(H)	C(C[3]C[3]2H)(CH3)2(OH)	H(C[3]C[3]2C)	113.4213	0.152	3	113.4213	0.023	3	113.4213	0.023	3	113.6287	0.323	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:2:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C[6]-4:C-4:O-2:	C[3]-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6]CO)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	H(C[3]C[3]2C)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6]CO)(H)	C(C[3]C[3]2H)(C[6]C[6]2H)(CH3)(OH)	H(C[3]C[3]2C)	114.1477	0.205	3	114.1477	0.042	3	114.1477	0.042	3	113.6287	0.323	7	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC3)(H)	C(C[3]C[3]2H)(CHHN)(CH3)2	H(C[3]C[3]2C)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC3)(H){2|C<3>}	C(C[3]C[3]2H)(CHHN)(CH3)2	H(C[3]C[3]2C)	113.2965	0.398	2	113.2965	0.158	2	113.2965	0.158	2	112.9433	0.434	4	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:4:	4:	C[3]-4:C[3]-4:C-4:H-1:	C[3]-4:N-4:P-4:P-4:	C[3]-4:	C[3](C[3]C[3]HH)2(CNPP)(H)	C(C[3]C[3]2H)(NH3)(PO3)2	H(C[3]C[3]2C)	C[3](C[3]C[3]HH)2(CNPP)(H)	C(C[3]C[3]2H)(NH3)(PO3)2	H(C[3]C[3]2C)	113.1580	0.000	1	113.1580	0.000	1	113.1580	0.000	1	112.9433	0.434	4	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	4:4:4:1:	4:4:4:4:	4:	P[3,5]-4:C[3,5]-4:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:	C[3](P[3,5]C[5,6a]C[3,5]Au)(C[3,5]P[3,5]C[5]H)(CC3)(H)	C(C[3]C[3,5]P[3,5]H)(CH3)3	H(C[3]C[3,5]P[3,5]C)	C[3](P[3,5]C[5,6a]C[3,5]Au)(C[3,5]P[3,5]C[5]H)(CC3)(H){2|C<3>,2|C<4>}	C(C[3]C[3,5]P[3,5]H)(CH3)3	H(C[3]C[3,5]P[3,5]C)	112.0220	0.000	1	112.0220	0.000	1	112.0220	0.000	1	112.9433	0.434	4	114.6690	2.713	696	114.6690	2.713	696
486	490	951	0:SP3_SP-NON_SP3	C[3]	C	H	5:5:4:1:	4:4:1:1:	4:	B[3,3]-5:B[3,3]-5:C-4:H-1:	C[3]-4:P-4:H-1:H-1:	C[3]-4:	C[3](B[3,3]B[3,3]C[6a]2H[3])2(CHHP)(H)	C(C[3]B[3,3]2H)(PC[6a]2H)(H)2	H(C[3]B[3,3]2C)	C[3](B[3,3]B[3,3]C[6a]2H[3])2(CHHP)(H){8|C<3>}	C(C[3]B[3,3]2H)(PC[6a]2H)(H)2	H(C[3]B[3,3]2C)	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	111.1580	0.000	1	114.6690	2.713	696	114.6690	2.713	696
486	490	952	0:SP3_SP3_SP3	C[3]	C	S	4:4:4:4:	4:1:1:1:	3:4:1:1:	C[3]-4:C[3]-4:S-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[6a]-3:C[3]-4:O-1:O-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CH3)	C(C[3]C[3]2S)(H)3	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CH3)	C(C[3]C[3]2S)(H)3	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1	114.0430	0.000	1
486	490	956	0:SP3_SP2_SP3	C[3]	C	N	4:2:4:3:	4:1:1:1:	4:1:1:	C[3]-4:O[3]-2:C-4:N-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO)	C(C[3]C[3]O[3]N)(H)3	N(C[3]C[3]O[3]C)(O)2	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO){2|C<3>}	C(C[3]C[3]O[3]N)(H)3	N(C[3]C[3]O[3]C)(O)2	113.0770	0.000	1	113.0770	0.000	1	113.0770	0.000	1	113.0770	0.000	1	114.3300	6.667	5	114.3300	6.667	5
486	490	956	0:SP3_SP2_SP3	C[3]	C	N	4:4:4:3:	4:1:1:1:	4:1:1:	C[3]-4:C[3,5]-4:C-4:N-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CH3)(NOO)	C(C[3]C[3,5]C[3]N)(H)3	N(C[3]C[3,5]C[3]C)(O)2	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CH3)(NOO){2|O<1>,4|C<3>}	C(C[3]C[3,5]C[3]N)(H)3	N(C[3]C[3,5]C[3]C)(O)2	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	114.3300	6.667	5	114.3300	6.667	5
486	490	956	0:SP3_SP2_SP3	C[3]	C	N	4:4:4:3:	4:4:3:1:	4:1:1:	C[3]-4:C[3]-4:C-4:N-3:	C[3]-4:C-4:N-3:H-1:	C[3]-4:O-1:O-1:	C[3](C[3]C[3]HH)2(CCHN)(NOO)	C(C[3]C[3]2N)(CC[6a]CH)(NOO)(H)	N(C[3]C[3]2C)(O)2	C[3](C[3]C[3]HH)2(CCHN)(NOO)	C(C[3]C[3]2N)(CC[6a]CH)(NOO)(H)	N(C[3]C[3]2C)(O)2	115.0080	0.175	2	115.0080	0.031	2	115.0080	0.031	2	115.0080	0.031	2	114.3300	6.667	5	114.3300	6.667	5
486	490	956	0:SP3_SP2_SP3	C[3]	C	N	4:4:4:3:	4:4:4:4:	4:4:4:	C[3]-4:C[3]-4:C-4:N-3:	C[3]-4:C-4:C-4:C-4:	C[3]-4:C-4:C-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC3)(NCC)	C(C[3]C[3]2N)(CH3)3	N(C[3]C[3]2C)(CCCH)2	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC3)(NCC)	C(C[3]C[3]2N)(CH3)3	N(C[3]C[3]2C)(CCCH)2	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	114.3300	6.667	5	114.3300	6.667	5
486	490	961	0:SP3_SP3_SP3	C[3,6]	C	S[6]	4:4:4:4:	4:1:1:1:	4:4:1:1:	C[3,6]-4:C[3]-4:S[6]-4:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[6]-4:O-1:O-1:	C[3,6](C[3,6]C[3]O[6]C)(C[3]C[3,6]Cl2)(S[6]C[6]OO)(CH3)	C(C[3,6]C[3,6]C[3]S[6])(H)3	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2	C[3,6](C[3,6]C[3]O[6]C)(C[3]C[3,6]Cl2)(S[6]C[6]OO)(CH3){1|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[3]S[6])(H)3	S[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]HH)(O)2{2|Cl<1>,1|C<4>,1|O<2>,2|H<1>}	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1	109.9470	0.000	1
486	490	962	0:SP3_SP2_SP3	C[3,6]	C	O[3]	3:4:2:4:	4:1:1:1:	4:3:	C[3,6]-3:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-3:	C[3,6](C[3,6]C[6]O[3])(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6])	C[3,6](C[3,6]C[6]O[3])(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]){3|C<4>,3|H<1>}	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	115.6695	2.597	2
486	490	962	0:SP3_SP2_SP3	C[3]	C	O[3]	3:2:4:1:	4:4:4:4:	4:3:	C[3]-3:O[3]-2:C-4:Br-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:C[3]-3:	C[3](C[3]O[3]C)(O[3]C[3])(CC3)(Br)	C(C[3]C[3]O[3]Br)(CH3)3	O[3](C[3]C[3]BrC)(C[3]C[3]C)	C[3](C[3]O[3]C)(O[3]C[3])(CC3)(Br)	C(C[3]C[3]O[3]Br)(CH3)3	O[3](C[3]C[3]BrC)(C[3]C[3]C)	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	115.6695	2.597	2
486	490	962	0:SP3_SP3_SP3	C[3,5,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5,6]-4:C[3,5,6]-4:O[3]-2:C-4:	C[3,5,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[3,5,6]C[5,5,6]O[3]C)(O[3]C[3,5,6])(CH3)	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(H)3	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2	C[3,5,6](C[5,5,6]C[5,5]C[5,6]C[6a])(C[3,5,6]C[5,5,6]O[3]C)(O[3]C[3,5,6])(CH3){1|C<4>,2|C<3>,5|H<1>}	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(H)3	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2{1|C<3>,1|H<1>,3|C<4>}	116.1448	0.062	5	116.1448	0.004	5	116.1448	0.004	5	116.1448	0.004	5	115.6550	0.652	10	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5,6]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3,5,6]-4:C[5,5,6]-4:O[3]-2:C-4:	C[3,5,6]-4:C-4:H-1:H-1:	C[3,5,6]-4:C[3,5,6]-4:	C[3,5,6](C[3,5,6]C[5,5,6]O[3]C)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(CCHH)	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(CBrHH)(H)2	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2	C[3,5,6](C[3,5,6]C[5,5,6]O[3]C)(C[5,5,6]C[5,5]C[5,6]H)(O[3]C[3,5,6])(CCHH){1|C<3>,1|C<4>,4|H<1>}	C(C[3,5,6]C[3,5,6]C[5,5,6]O[3])(CBrHH)(H)2	O[3](C[3,5,6]C[3,5,6]C[5,5,6]C)2{1|C<3>,1|H<1>,3|C<4>}	115.1652	0.930	5	115.1652	0.864	5	115.1652	0.864	5	115.1652	0.864	5	115.6550	0.652	10	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:2:3:4:	4:1:1:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	117.6810	0.000	1	117.6810	0.000	1	117.4217	0.401	3	117.4217	0.401	3	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:2:3:4:	4:1:1:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CH3){1|C<3>,1|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	117.2920	0.837	2	117.2920	0.701	2	117.4217	0.401	3	117.4217	0.401	3	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:2:3:4:	4:4:1:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<3>,1|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	119.7540	0.543	4	119.6782	0.854	6	119.6782	0.854	6	119.6782	0.854	6	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:2:3:4:	4:4:1:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHH){1|C<4>,1|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(H)2	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	119.5265	1.821	2	119.6782	0.854	6	119.6782	0.854	6	119.6782	0.854	6	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:2:3:4:	4:4:2:1:	4:4:	C[3,5]-4:O[3]-2:C[5]-3:C-4:	C[3,5]-4:C-4:O-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO)	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(O[3]C[3,5])(C[5]O[5]O)(CCHO){1|C<4>,1|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CC[4]HH)(OC)(H)	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	119.6130	0.000	1	119.6130	0.000	1	119.6130	0.000	1	119.6130	0.000	1	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5]-4:Cl-1:Cl-1:H-1:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H)	C(C[3,5]C[3,5,6]C[5]O[3])(Cl)2(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCl2H){1|O<2>,2|C<3>,2|H<1>}	C(C[3,5]C[3,5,6]C[5]O[3])(Cl)2(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	113.4560	0.000	1	113.4560	0.000	1	113.4560	0.000	1	116.6750	20.724	2	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3)	C(C[3,5]C[3,5,6]C[5]O[3])(H)3	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]O[5]HO)(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[3,5]C[3,5,6]C[5]O[3])(H)3	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){2|C<4>,2|H<1>,4|O<2>}	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	116.6750	20.724	2	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:2:4:4:	4:4:4:1:	4:4:	C[3,5,6]-4:O[3]-2:C[5]-4:C-4:	C[3,5]-4:C-4:C-4:H-1:	C[3,5,6]-4:C[3,5]-4:	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH)	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C)	C[3,5](C[3,5,6]C[5,6]C[6]O[3])(O[3]C[3,5,6])(C[5]C[5]HH)(CCCH){1|C<3>,3|C<4>,3|H<1>}	C(C[3,5]C[3,5,6]C[5]O[3])(CC[3]HH)(CH3)(H)	O[3](C[3,5,6]C[3,5]C[5,6]C[6])(C[3,5]C[3,5,6]C[5]C){1|C<3>,3|H<1>,4|C<4>}	117.5960	0.000	1	117.5960	0.000	1	117.5960	0.000	1	117.5960	0.000	1	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:3:2:4:	4:2:1:1:	4:4:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[3,5]-4:O-2:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO)	C(C[3,5]C[3,5]C[5]O[3])(OSi)(H)2	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5,5]O)(O[3]C[3,5])(CHHO){1|C<4>,1|H<1>,2|N<2>}	C(C[3,5]C[3,5]C[5]O[3])(OSi)(H)2	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|H<1>,1|N<2>,1|O<1>}	118.4060	0.264	2	118.4060	0.070	2	118.4060	0.070	2	118.4060	0.070	2	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:3:2:4:	4:3:2:1:	4:4:	C[3,5]-4:C[5]-3:O[3]-2:C-4:	C[3,5]-4:C[6a]-3:O-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO)	C(C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(OH)(H)	O[3](C[3,5]C[5,5,6]C[3,5]H)(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5,5,6]O[3]H)(C[5]C[5,5,6]O)(O[3]C[3,5])(CC[6a]HO){2|C<4>,2|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(C[6a]C[6a]2)(OH)(H)	O[3](C[3,5]C[5,5,6]C[3,5]H)(C[3,5]C[3,5]C[5]C){1|H<1>,1|O<1>,2|C<4>}	113.8200	0.000	1	113.8200	0.000	1	113.8200	0.000	1	113.8200	0.000	1	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5,6]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]O)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5,6]O[3])(H)3	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]C)	C[3,5](C[3,5]C[5,6,6]O[3]H)(C[5,6]C[5,6]C[6]O)(O[3]C[3,5])(CH3){1|C<3>,2|C<4>,4|H<1>}	C(C[3,5]C[3,5]C[5,6]O[3])(H)3	O[3](C[3,5]C[5,6,6]C[3,5]H)(C[3,5]C[3,5]C[5,6]C){1|O<2>,4|C<4>}	114.5990	0.000	1	114.5990	0.000	1	114.5990	0.000	1	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[5]C[3,5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	116.4180	0.000	1	116.4180	0.000	1	116.1337	0.827	17	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C){1|O<2>,3|C<4>,4|H<1>}	116.3750	0.000	1	116.3750	0.000	1	116.1337	0.827	17	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5]2O[3])(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|O<2>,2|C<4>,4|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]2)(C[3,5]C[3,5]C[5]C){1|O<2>,3|C<4>,4|H<1>}	116.1483	0.722	3	116.1483	0.522	3	116.1337	0.827	17	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]2H)(O[3]C[3,5])(CH3){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	113.9210	0.000	1	113.9210	0.000	1	116.1337	0.827	17	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CH3){1|N<3>,3|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	115.8183	0.503	4	115.8183	0.253	4	116.1337	0.827	17	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|N<3>,2|C<4>,2|H<1>}	116.9723	1.099	3	116.8328	0.884	4	116.1337	0.827	17	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]CH)(O[3]C[3,5])(CH3){1|S<4>,2|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	116.4140	0.000	1	116.8328	0.884	4	116.1337	0.827	17	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]N[5]HH)(O[3]C[3,5])(CH3){1|C<4>,1|H<1>,1|S<4>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	116.5070	0.000	1	116.5070	0.000	1	116.1337	0.827	17	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]O[5]HH)(O[3]C[3,5])(CH3){1|C<3>,1|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|O<2>,3|H<1>}	116.0015	1.105	2	116.0015	1.221	2	116.1337	0.827	17	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[3x5,6]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5,5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H)	C[3,5](C[5,5]C[3x5,6]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,3|C<4>,3|O<2>}	C(C[3,5]C[3,5]C[5,5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H){1|O<2>,2|C<4>,2|H<1>}	112.6970	0.000	1	112.6970	0.000	1	114.2850	2.497	3	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[3x5]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5,5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H)	C[3,5](C[5,5]C[3x5]C[5,5]H)(C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,3|C<4>,3|O<2>}	C(C[3,5]C[3,5]C[5,5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5,5]C)(C[3,5]C[3,5]C[5,5]H){1|O<2>,2|C<4>,2|H<1>}	114.3010	0.000	1	114.3010	0.000	1	114.2850	2.497	3	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5,5]O[3])(H)3	O[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5,5]C)	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3,5]C[5,6a]O[3]H)(O[3]C[3,5])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[3,5]C[3,5]C[5,5]O[3])(H)3	O[3](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[3,5]C[5,5]C){1|N<3>,1|O<2>,2|C<3>}	115.8570	0.000	1	115.8570	0.000	1	114.2850	2.497	3	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[3,6]C[5,6]C)(C[3,5]O[3]P[5]H)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5,6]O[3])(H)3	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]P[5]H)	C[3,5](C[5,6]C[3,6]C[5,6]C)(C[3,5]O[3]P[5]H)(O[3]C[3,5])(CH3){1|C<4>,1|O<2>,1|W<6>,3|C<3>}	C(C[3,5]C[3,5]C[5,6]O[3])(H)3	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]P[5]H){1|W<6>,2|C<3>,2|C<4>}	114.9130	0.000	1	114.9130	0.000	1	114.9130	0.000	1	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3)	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5]C[5,5]C[6a]H)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(H)3	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){1|C<3>,1|C<4>,3|H<1>}	114.8340	0.000	1	114.8340	0.000	1	114.8340	0.000	1	115.7163	1.364	23	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:3:1:1:	4:4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[5]-3:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH)	C(C[3,5]C[3,5]2O[3])(C[5]C[5]2)(H)2	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]C)(O[3]C[3,5])(CC[5]HH){3|H<1>}	C(C[3,5]C[3,5]2O[3])(C[5]C[5]2)(H)2	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	112.9140	0.000	1	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){1|O<2>,3|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	O[3](C[3,5]C[3,5]C[5]C)2{1|O<2>,2|C<4>,2|H<1>}	116.0570	0.966	2	116.9145	1.253	6	116.6600	1.792	10	116.6600	1.792	10	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){4|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	O[3](C[3,5]C[3,5]C[5]C)2{2|C<4>,3|H<1>}	117.3432	1.021	4	116.9145	1.253	6	116.6600	1.792	10	116.6600	1.792	10	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH)	C(C[3,5]C[3,5]C[5]O[3])(CC[3]CH)(H)2	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CH)(O[3]C[3,5])(CCHH){4|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CC[3]CH)(H)2	O[3](C[3,5]C[3,5]C[5]C)2{2|C<4>,3|H<1>}	116.7365	1.558	2	116.7365	2.427	2	116.6600	1.792	10	116.6600	1.792	10	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CO)(O[3]C[3,5])(CCHH)	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]CO)(O[3]C[3,5])(CCHH){4|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCCH)(H)2	O[3](C[3,5]C[3,5]C[5]C)2{1|O<2>,2|C<4>,2|H<1>}	117.4970	0.000	1	117.4970	0.000	1	116.6600	1.792	10	116.6600	1.792	10	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:H-1:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH)	C(C[3,5]C[3,5]C[5]O[3])(CC[5]HO)(H)2	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]O[3]H)(C[5]C[5]CC)(O[3]C[3,5])(CCHH){1|C<4>,3|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CC[5]HO)(H)2	O[3](C[3,5]C[3,5]C[5]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	114.1430	0.000	1	114.1430	0.000	1	116.6600	1.792	10	116.6600	1.792	10	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:O-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCHO)	C(C[3,5]C[3,5]C[5,6]O[3])(CH3)(OH)(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCHO){1|C<3>,2|C<4>,4|H<1>}	C(C[3,5]C[3,5]C[5,6]O[3])(CH3)(OH)(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){2|H<1>,3|C<4>}	114.8460	0.000	1	114.8460	0.000	1	114.8460	0.000	1	114.8460	0.000	1	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:C-4:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH)	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	O[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]2C)	C[3,5](C[3,5]C[3,5]O[3]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CCCH){1|C<4>,2|H<1>}	C(C[3,5]C[3,5]2O[3])(CC[5]HH)(CH3)(H)	O[3](C[3,5]C[3,5]C[5]H)(C[3,5]C[3,5]2C){1|O<2>,2|C<4>,2|H<1>}	114.5720	0.000	1	114.5720	0.000	1	114.5720	0.000	1	117.0904	1.476	14	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:C-4:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[3]C[5]O[3])(C[5]C[5]HH)(O[3]C[3,5])(CCCH){2|C<4>,2|O<2>,3|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	O[3](C[3,5]C[3,5]C[3]C[5])(C[3,5]C[3,5]C[5]C){2|O<2>,3|C<4>,3|H<1>}	116.2380	0.536	2	116.2380	0.287	2	117.3990	0.937	12	117.0904	1.476	14	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:C-4:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C(C[3,5]C[3,5]C[5]O[3])(CH3)2(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[5,6]O[3]H)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<3>,1|C<4>,2|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CH3)2(H)	O[3](C[3,5]C[3,5]C[5,6]H)(C[3,5]C[3,5]C[5]C){1|C<3>,2|C<4>,2|H<1>}	118.8570	0.000	1	118.8570	0.000	1	117.3990	0.937	12	117.0904	1.476	14	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:C-4:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<4>,1|O<2>,2|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	O[3](C[3,5]C[3,5]C[5]C)2{1|O<2>,2|C<4>,2|H<1>}	117.5660	0.000	1	117.7696	0.429	7	117.3990	0.937	12	117.0904	1.476	14	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:C-4:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HH)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	O[3](C[3,5]C[3,5]C[5]C)2{2|C<4>,3|H<1>}	117.8035	0.711	6	117.7696	0.429	7	117.3990	0.937	12	117.0904	1.476	14	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:C-4:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH)	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	O[3](C[3,5]C[3,5]C[5]C)2	C[3,5](C[3,5]C[5]O[3]C)(C[5]C[5]HO)(O[3]C[3,5])(CCCH){1|C<4>,3|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CCHH)(CH3)(H)	O[3](C[3,5]C[3,5]C[5]C)2{1|O<2>,2|C<4>,2|H<1>}	116.5340	0.404	2	116.5340	0.164	2	117.3990	0.937	12	117.0904	1.476	14	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[5,6]-4:C[3,5]-4:O[3]-2:C-4:	C[3,5]-4:C[6]-4:C-4:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CC[6]CH)	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H)	C[3,5](C[5,6]C[5,6]C[6]C)(C[3,5]C[5]O[3]H)(O[3]C[3,5])(CC[6]CH){2|C<4>,2|O<2>,3|H<1>}	C(C[3,5]C[3,5]C[5,6]O[3])(C[6]C[6]O[6]H)(CH3)(H)	O[3](C[3,5]C[3,5]C[5,6]C)(C[3,5]C[3,5]C[5]H){1|H<1>,1|O<2>,3|C<4>}	115.9060	0.000	1	115.9060	0.000	1	115.9060	0.000	1	117.0904	1.476	14	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,5]	C	O[3]	4:4:2:4:	4:4:4:4:	4:4:	C[3,5]-4:C[5]-4:O[3]-2:C-4:	C[3,5]-4:C-4:C-4:C-4:	C[3,5]-4:C[3,5]-4:	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3)	C(C[3,5]C[3,5]C[5]O[3])(CH3)3	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)	C[3,5](C[3,5]C[6a]O[3]O[5])(C[5]C[5]CC)(O[3]C[3,5])(CC3){2|C<3>,2|H<1>}	C(C[3,5]C[3,5]C[5]O[3])(CH3)3	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C){2|C<3>,3|C<4>}	115.6940	0.000	1	115.6940	0.000	1	115.6940	0.000	1	115.6940	0.000	1	116.7018	3.270	66	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6,6]-4:C[3x6]-4:O[3]-2:C-4:	C[3,6,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6](C[3,6,6]C[5,4x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(CH3)	C(C[3,6,6]C[3,6,6]C[3x6]O[3])(H)3	O[3](C[3,6,6]C[3,6,6]C[5,4x6]H)(C[3,6,6]C[3,6,6]C[3x6]C)	C[3,6,6](C[3,6,6]C[5,4x6]O[3]H)(C[3x6]C[6,6]2H)(O[3]C[3,6,6])(CH3){3|C<4>,4|H<1>}	C(C[3,6,6]C[3,6,6]C[3x6]O[3])(H)3	O[3](C[3,6,6]C[3,6,6]C[5,4x6]H)(C[3,6,6]C[3,6,6]C[3x6]C){1|H<1>,5|C<4>}	115.6110	0.480	3	115.6110	0.231	3	115.6110	0.231	3	116.3180	1.247	5	116.3180	1.247	5	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3x6]-4:C[3,6,6]-4:O[3]-2:C-4:	C[3,6,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[3,6,6]-4:	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3)	C(C[3,6,6]C[3,6,6]C[3x6]O[3])(H)3	O[3](C[3,6,6]C[3,6,6]C[3x6]C)2	C[3,6,6](C[3x6]N[5a,6,6]C[6,6]H)(C[3,6,6]C[3x6]O[3]C)(O[3]C[3,6,6])(CH3){1|N<3>,2|C<3>,2|H<1>}	C(C[3,6,6]C[3,6,6]C[3x6]O[3])(H)3	O[3](C[3,6,6]C[3,6,6]C[3x6]C)2{2|C<3>,2|H<1>,2|N<3>}	117.3785	0.882	2	117.3785	0.778	2	117.3785	0.778	2	116.3180	1.247	5	116.3180	1.247	5	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	3:4:2:4:	4:4:4:4:	4:4:	C[6,6]-3:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:C-4:C-4:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3)	C(C[3,6]C[3,6]C[6,6]O[3])(CH3)3	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]O[6])(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CC3){1|C<3>,1|O<2>,3|C<4>}	C(C[3,6]C[3,6]C[6,6]O[3])(CH3)3	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,2|C<3>,2|O<2>}	114.3820	0.000	1	114.3820	0.000	1	114.3820	0.000	1	114.3820	0.000	1	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:2:3:4:	4:1:1:1:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3)	C(C[3,6]C[3,6,6]C[6]O[3])(H)3	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	C(C[3,6]C[3,6,6]C[6]O[3])(H)3	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C){2|O<1>,5|C<4>}	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	114.0363	1.929	7	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:2:3:4:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<1>,2|C<4>,2|H<1>}	114.9710	0.021	2	114.9710	0.000	2	114.9710	0.000	2	114.0363	1.929	7	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:2:3:4:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:O-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(H)2(O)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){1|C<3>,1|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(H)2(O)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	114.1890	0.000	2	113.1655	1.397	4	113.1655	1.397	4	114.0363	1.929	7	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:2:3:4:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:H-1:H-1:O-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(H)2(O)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CHHO){2|C<3>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(H)2(O)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	112.1420	0.000	2	113.1655	1.397	4	113.1655	1.397	4	114.0363	1.929	7	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:2:3:4:	4:2:1:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(OS)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(O[3]C[3,6])(C[6]N[6]O)(CHHO){2|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(OS)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	114.2630	0.000	1	114.2630	0.000	1	114.2630	0.000	1	114.2630	0.000	1	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:2:3:4:	4:3:1:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C(C[3,6]C[3,6]C[6]O[3])(CCH)(H)2	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(CCH)(H)2	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	114.6720	0.000	1	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:2:3:4:	4:3:2:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C-3:O-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO)	C(C[3,6]C[3,6]C[6]O[3])(COO)(OC)(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(O[3]C[3,6])(C[6]C[6]O)(CCHO){1|C<3>,1|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(COO)(OC)(H)	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,2|C<3>,2|O<2>}	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	113.1560	0.000	1	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:2:3:4:	4:4:1:1:	4:4:	C[3,6]-4:O[3]-2:C[6]-3:C-4:	C[3,6]-4:C-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH)	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]O)	C[3,6](C[3,6]C[6]O[3]O)(O[3]C[3,6])(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(C[3,6]C[3,6]C[6]O[3])(CCCH)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]O){2|C<3>,2|O<1>}	115.9425	2.488	2	115.9425	6.192	2	115.9425	6.192	2	115.9425	6.192	2	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,5,6]-4:O[3]-2:C[6]-4:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CO)(CH3)	C(C[3,6]C[3,5,6]C[6]O[3])(H)3	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(O[3]C[3,5,6])(C[6]C[6]CO)(CH3){1|O<2>,3|C<4>,4|H<1>}	C(C[3,6]C[3,5,6]C[6]O[3])(H)3	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C){2|H<1>,2|O<2>,5|C<4>}	112.3490	0.137	2	112.3490	0.019	2	112.3490	0.019	2	113.5020	3.998	3	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,6,6]-4:O[3]-2:C[6]-4:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[3,6]-4:	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3)	C(C[3,6]C[3,6,6]C[6]O[3])(H)3	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C)	C[3,6](C[3,6,6]C[6,6]C[6]O[3])(O[3]C[3,6,6])(C[6]C[6]HH)(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[3,6]C[3,6,6]C[6]O[3])(H)3	O[3](C[3,6,6]C[3,6]C[6,6]C[6])(C[3,6]C[3,6,6]C[6]C){1|O<2>,3|H<1>,5|C<4>}	115.8080	0.000	1	115.8080	0.000	1	115.8080	0.000	1	113.5020	3.998	3	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:3:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CH3){1|H<1>,1|O<1>,2|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,2|O<1>}	116.1328	0.557	4	116.1328	0.310	4	116.1328	0.310	4	116.1328	0.310	4	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:3:2:4:	4:2:1:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]O)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<1>,1|O<2>,3|C<4>}	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:3:2:4:	4:4:4:1:	4:4:	C[3,6]-4:C[6]-3:O[3]-2:C-4:	C[3,6]-4:C-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH)	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[3,6,6]O)(O[3]C[3,6])(CCCH){1|H<1>,2|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	114.8950	0.000	1	114.8950	0.000	1	114.8950	0.000	1	114.8950	0.000	1	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,5,6]-4:C[6,6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,6](C[3,5,6]C[5,6,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,5,6])(CH3)	C(C[3,6]C[3,5,6]C[6,6]O[3])(H)3	O[3](C[3,5,6]C[5,6,6]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6]C)	C[3,6](C[3,5,6]C[5,6,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]H)(O[3]C[3,5,6])(CH3){2|O<2>,4|H<1>,5|C<4>}	C(C[3,6]C[3,5,6]C[6,6]O[3])(H)3	O[3](C[3,5,6]C[5,6,6]C[3,6]C[5,6])(C[3,6]C[3,5,6]C[6,6]C){2|H<1>,2|O<2>,5|C<4>}	114.3760	0.000	1	114.3760	0.000	1	114.3760	0.000	1	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:Br-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH)	C(C[3,6]C[3,6]C[6]O[3])(Br)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CBrHH){2|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(Br)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	110.9090	0.000	1	110.9090	0.000	1	110.9090	0.000	1	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|O<2>,2|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|O<2>,2|H<1>,3|C<4>}	114.9230	0.000	1	114.9230	0.000	1	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	114.9253	0.418	4	114.9253	0.174	4	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[5,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	115.1015	0.940	2	115.1015	0.883	2	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	114.4320	1.235	2	114.7353	0.682	4	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2{2|C<4>,4|H<1>}	115.0385	0.394	2	114.7353	0.682	4	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CH)(O[3]C[3,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2{1|N<4>,2|H<1>,3|C<4>}	114.6130	0.000	1	114.6130	0.000	1	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2{1|N<4>,2|C<4>,3|H<1>}	114.9020	0.000	1	114.4500	6.763	4	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,3|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	115.9840	0.000	1	114.4500	6.763	4	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	113.4570	3.970	2	114.4500	6.763	4	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)2{1|N<4>,2|H<1>,3|C<4>}	117.2920	0.000	1	117.2920	0.000	1	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|N<3>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	114.2860	0.021	2	114.5420	0.197	3	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CH3){1|N<3>,2|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	115.0540	0.000	1	114.5420	0.197	3	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){1|C<3>,2|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	114.0515	1.176	4	114.0904	1.044	5	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CH3){2|H<1>,3|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	114.2460	0.000	1	114.0904	1.044	5	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HH)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	115.0370	0.000	1	115.0370	0.000	1	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3){1|C<3>,1|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	115.8835	1.309	2	115.3907	1.585	3	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6]HO)(O[3]C[3,6])(CH3){1|H<1>,2|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,2|H<1>,2|O<2>}	114.4050	0.000	1	115.3907	1.585	3	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6,6a]HO)(O[3]C[3,6])(CH3){1|H<1>,1|O<2>,2|C<3>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<3>,2|H<1>,2|O<2>}	115.1080	0.000	1	115.1080	0.000	1	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){1|C<4>,1|C<7>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<7>,2|C<4>,3|H<1>}	114.9840	0.000	1	114.2778	0.870	10	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	114.2930	0.130	2	114.2778	0.870	10	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	114.1726	1.098	7	114.2778	0.870	10	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<3>,1|O<1>,1|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	115.1850	0.000	1	114.1794	0.687	5	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){1|C<4>,4|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	113.8590	1.144	2	114.1794	0.687	5	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CH3){2|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|C<4>,3|H<1>}	113.9970	0.396	2	114.1794	0.687	5	114.6121	1.274	45	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[5,6]O[3])(H)3	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C)	C[3,6](C[5,6]C[5,6,6]C[5]H)(C[3,6]C[6]O[3]C)(O[3]C[3,6])(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[3,6]C[3,6]C[5,6]O[3])(H)3	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]C){1|C<4>,2|C<3>,2|H<1>}	115.4870	0.000	1	115.4870	0.000	1	115.4870	0.000	1	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6,6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[5,6]C[6,6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){1|O<2>,3|H<1>,4|C<4>}	C(C[3,6]C[3,6]C[6,6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	112.8210	0.000	1	112.8210	0.000	1	111.7772	1.539	4	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:H-1:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3)	C(C[3,6]C[3,6]C[6,6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]C[6]C)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CH3){3|C<4>,5|H<1>}	C(C[3,6]C[3,6]C[6,6]O[3])(H)3	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){2|H<1>,4|C<4>}	111.4293	1.258	3	111.4293	1.583	3	111.7772	1.539	4	114.3351	2.027	52	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[3,5,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:O-2:H-1:H-1:	C[3,5,6]-4:C[3,6]-4:	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO)	C(C[3,6]C[3,5,6]C[6]O[3])(OH)(H)2	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C)	C[3,6](C[3,5,6]C[5,6]C[5]O[3])(C[6]C[3,6]CH)(O[3]C[3,5,6])(CHHO){1|O<2>,2|H<1>,5|C<4>}	C(C[3,6]C[3,5,6]C[6]O[3])(OH)(H)2	O[3](C[3,5,6]C[3,6]C[5,6]C[5])(C[3,6]C[3,5,6]C[6]C){2|H<1>,7|C<4>}	115.2540	0.000	1	115.2540	0.000	1	115.2540	0.000	1	113.2328	4.079	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CHHO){1|C<4>,2|H<1>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]2H){2|C<4>,2|H<1>,2|O<2>}	113.8225	1.945	2	113.8225	3.784	2	112.4082	3.987	4	113.2328	4.079	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(OH)(H)2	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C)	C[3,6](C[3,6]C[6,6]O[3]H)(C[6]C[3,6]HO)(O[3]C[3,6])(CHHO){1|H<1>,2|C<4>,2|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(OH)(H)2	O[3](C[3,6]C[3,6]C[6,6]H)(C[3,6]C[3,6]C[6]C){1|H<1>,2|O<2>,3|C<4>}	111.2910	0.000	1	111.2910	0.000	1	112.4082	3.987	4	113.2328	4.079	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO)	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CHHO){1|O<2>,2|C<4>,2|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(OC)(H)2	O[3](C[3,6]C[3,6]C[6]C)2{1|H<1>,1|O<2>,4|C<4>}	110.6970	0.000	1	110.6970	0.000	1	112.4082	3.987	4	113.2328	4.079	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:2:1:1:	4:4:	C[6,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:O-2:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO)	C(C[3,6]C[3,6]C[6,6]O[3])(OC)(H)2	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[6,6]C[6,6]C[6]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CHHO){1|O<2>,3|C<4>,4|H<1>}	C(C[3,6]C[3,6]C[6,6]O[3])(OC)(H)2	O[3](C[3,6]C[3,6]C[6,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	114.5100	0.000	1	114.5100	0.000	1	114.5100	0.000	1	113.2328	4.079	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:2:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C-2:O-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO)	C(C[3,6]C[3,6]C[6]O[3])(CC)(OH)(H)	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHO){1|C<4>,4|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(CC)(OH)(H)	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:3:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH)	C(C[3,6]C[3,6]C[6]O[3])(CCH)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HO)(O[3]C[3,6])(CCHH){1|C<2>,1|C<4>,1|H<1>,1|O<2>}	C(C[3,6]C[3,6]C[6]O[3])(CCH)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	114.8250	0.000	1	114.8250	0.000	1	114.8250	0.000	1	113.6280	2.866	2	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:3:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[6]-3:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH)	C(C[3,6]C[3,6]C[6]O[3])(C[6]C[6]2)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[5,6]CH)(O[3]C[3,6])(CC[6]HH){2|H<1>,3|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(C[6]C[6]2)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	112.4310	0.000	1	112.4310	0.000	1	112.4310	0.000	1	113.6280	2.866	2	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH)	C(C[3,6]C[3,6]C[6]O[3])(CC[6]HH)(H)2	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]CC)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(CC[6]HH)(H)2	O[3](C[3,6]C[3,6]C[6]C)2{2|H<1>,4|C<4>}	113.8410	0.000	1	113.8410	0.000	1	114.4743	3.096	3	113.8947	2.787	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH)	C(C[3,6]C[3,6]C[6]O[3])(CH3)(H)2	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]N[6]CH)(O[3]C[3,6])(CCHH){2|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(CH3)(H)2	O[3](C[3,6]C[3,6]C[6]C)2{1|N<4>,2|C<4>,3|H<1>}	116.4630	0.000	1	116.4630	0.000	1	114.4743	3.096	3	113.8947	2.787	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH)	C(C[3,6]C[3,6]C[6]O[3])(CCHO)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[6]HH)(O[3]C[3,6])(CCHH){1|C<4>,4|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(CCHO)(H)2	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	113.1190	0.000	1	113.1190	0.000	1	114.4743	3.096	3	113.8947	2.787	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){3|C<4>,3|H<1>}	114.1500	0.000	1	114.1500	0.000	1	113.3150	2.862	3	113.8947	2.787	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	114.4270	0.000	1	112.8975	4.679	2	113.3150	2.862	3	113.8947	2.787	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:H-1:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH)	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[5,6]C[5,6]C[5]H)(C[3,6]C[6]O[3]H)(O[3]C[3,6])(CCHH){2|O<2>,3|C<4>,3|H<1>}	C(C[3,6]C[3,6]C[5,6]O[3])(CCHH)(H)2	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]C[6]H){1|O<2>,2|H<1>,3|C<4>}	111.3680	0.000	1	112.8975	4.679	2	113.3150	2.862	3	113.8947	2.787	6	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:4:2:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C[3]-4:O-2:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO)	C(C[3,6]C[3,6]C[6]O[3])(C[3]C[3]O[3]H)(OH)(H)	O[3](C[3,6]C[3,6]C[6]C)2	C[3,6](C[3,6]C[6]O[3]C)(C[6]C[6]HO)(O[3]C[3,6])(CC[3]HO){2|H<1>,3|C<4>}	C(C[3,6]C[3,6]C[6]O[3])(C[3]C[3]O[3]H)(OH)(H)	O[3](C[3,6]C[3,6]C[6]C)2{1|H<1>,1|O<2>,4|C<4>}	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[3,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	C(C[3,6]C[3,6]2O[3])(CH3)2(H)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H)	C[3,6](C[3,6]C[3,6,6]C[3]O[3])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){2|C<4>,2|O<2>,3|H<1>}	C(C[3,6]C[3,6]2O[3])(CH3)2(H)	O[3](C[3,6]C[3,6]2C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	117.7110	0.000	1	117.7110	0.000	1	117.7110	0.000	1	115.1680	4.870	3	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[3,6]-4:C[6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH)	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)	C[3,6](C[3,6]C[6]O[3]H)(C[6]C[3,6]HH)(O[3]C[3,6])(CCCH){1|C<4>,1|N<3>,3|H<1>}	C(C[3,6]C[3,6]C[6]O[3])(CH3)2(H)	O[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H){2|C<4>,4|H<1>}	113.7550	0.000	1	113.7550	0.000	1	113.7550	0.000	1	115.1680	4.870	3	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3,6]	C	O[3]	4:4:2:4:	4:4:4:1:	4:4:	C[5,6]-4:C[3,6]-4:O[3]-2:C-4:	C[3,6]-4:C-4:C-4:H-1:	C[3,6]-4:C[3,6]-4:	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH)	C(C[3,6]C[3,6]C[5,6]O[3])(CH3)2(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]2H)	C[3,6](C[5,6]C[3,6,6]C[5]O[5])(C[3,6]C[3,6]O[3]H)(O[3]C[3,6])(CCCH){1|S<3>,2|C<4>,3|H<1>,3|O<2>}	C(C[3,6]C[3,6]C[5,6]O[3])(CH3)2(H)	O[3](C[3,6]C[3,6]C[5,6]C)(C[3,6]C[3,6]2H){1|H<1>,2|O<2>,3|C<4>}	114.0380	0.000	1	114.0380	0.000	1	114.0380	0.000	1	115.1680	4.870	3	114.2853	2.552	93	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	3:2:4:4:	4:1:1:1:	4:3:	N[3]-3:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:N[3]-3:	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	C(C[3]N[3]O[3]C)(H)3	O[3](C[3]N[3]CC)(N[3]C[3]P)	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	C(C[3]N[3]O[3]C)(H)3	O[3](C[3]N[3]CC)(N[3]C[3]P)	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	113.8050	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	3:2:4:4:	4:4:4:4:	4:3:	N[3]-3:O[3]-2:C-4:C-4:	C[3]-4:C-4:C-4:C-4:	C[3]-4:N[3]-3:	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	C(C[3]N[3]O[3]C)(CH3)3	O[3](C[3]N[3]CC)(N[3]C[3]P)	C[3](N[3]O[3]P)(O[3]N[3])(CC3)(CH3)	C(C[3]N[3]O[3]C)(CH3)3	O[3](C[3]N[3]CC)(N[3]C[3]P)	116.2050	0.000	1	116.2050	0.000	1	116.2050	0.000	1	116.2050	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	3:4:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3)	C(C[3]C[6a]C[3]O[3])(F)3	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(O[3]C[3])(CF3){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(F)3	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH){2|C<3>}	112.0380	0.000	1	112.0380	0.000	1	112.0380	0.000	1	114.0760	8.307	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	3:4:2:4:	4:1:1:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:I-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI)	C(C[3]C[6a]C[3]O[3])(H)2(I)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)	C[3](C[6a]C[6a]2)(C[3]O[3]CC)(O[3]C[3])(CHHI){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(H)2(I)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC){2|C<3>}	116.1140	0.000	1	116.1140	0.000	1	116.1140	0.000	1	114.0760	8.307	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	3:4:2:4:	4:2:1:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C(C[3]C[6a]C[3]O[3])(OC)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(OC)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	112.8610	1.557	2	112.8610	2.424	2	114.4085	8.715	4	114.4085	8.715	4	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	3:4:2:4:	4:2:1:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO)	C(C[3]C[6a]C[3]O[3])(OC[6])(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CHHO){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(OC[6])(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	115.9560	3.760	2	115.9560	14.141	2	114.4085	8.715	4	114.4085	8.715	4	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	3:4:2:4:	4:4:1:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C(C[3]C[6a]C[3]O[3])(CH3)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(CH3)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	115.5220	0.000	1	115.5220	0.000	1	113.8040	1.592	4	113.8040	1.592	4	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	3:4:2:4:	4:4:1:1:	4:4:	C[6a]-3:C[3]-4:O[3]-2:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH)	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[6a]C[6a]2)(C[3]O[3]CH)(O[3]C[3])(CCHH){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(CHHO)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	113.2313	0.649	3	113.2313	0.421	3	113.8040	1.592	4	113.8040	1.592	4	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	3:4:4:2:	4:3:1:1:	4:4:	C[6a]-3:C[3]-4:C-4:O[3]-2:	C[3]-4:C[6a]-3:H-1:O-1:	C[3]-4:C[3]-4:	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3])	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(H)(O)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)	C[3](C[6a]C[6a]2)(C[3]O[3]HH)(CC[6a]HO)(O[3]C[3]){2|C<3>,2|H<1>}	C(C[3]C[6a]C[3]O[3])(C[6a]C[6a]2)(H)(O)	O[3](C[3]C[6a]C[3]C)(C[3]C[3]HH){2|C<3>}	113.6900	0.000	1	113.6900	0.000	1	113.6900	0.000	1	113.6900	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:3:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CN[6]O)(CH3){2|C<3>}	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	117.1150	0.000	1	117.1150	0.000	1	117.0090	0.022	2	117.0090	0.022	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:3:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]O)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]O)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	116.9030	0.000	1	116.9030	0.000	1	117.0090	0.022	2	117.0090	0.022	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:3:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-3:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]O)(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]O)(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]CC)2	115.4480	0.000	1	115.4480	0.000	1	115.4480	0.000	1	115.4480	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	C(C[3]C[3,6,6]O[3]H)(H)3	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]CH)	C[3](C[3,6,6]C[3x6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[3]C[3,6,6]O[3]H)(H)3	O[3](C[3,6,6]C[3x6]C[6,6]C[3])(C[3]C[3,6,6]CH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	115.5635	0.158	2	115.5635	0.025	2	115.7887	0.165	3	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3,6,6]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3,6,6]-4:C[3]-4:	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H)	C(C[3]C[3,6,6]O[3]H)(H)3	O[3](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]CH)	C[3](C[3,6,6]C[5,6,6]C[6,6]O[3])(O[3]C[3,6,6])(CH3)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C(C[3]C[3,6,6]O[3]H)(H)3	O[3](C[3,6,6]C[5,6,6]C[6,6]C[3])(C[3]C[3,6,6]CH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	116.2390	0.000	1	116.2390	0.000	1	115.7887	0.165	3	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	C(C[3]C[3,6]O[3]H)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){1|O<2>,2|C<4>,3|H<1>}	C(C[3]C[3,6]O[3]H)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){1|O<2>,2|C<4>,3|H<1>}	115.8757	0.161	3	116.2752	0.317	5	116.4433	0.424	6	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H)	C(C[3]C[3,6]O[3]H)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)(H){2|C<4>,4|H<1>}	C(C[3]C[3,6]O[3]H)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){2|C<4>,4|H<1>}	116.8745	0.144	2	116.2752	0.317	5	116.4433	0.424	6	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H)	C(C[3]C[3,6]O[3]H)(H)3	O[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH)	C[3](C[3,6]C[6]O[3]O[6])(O[3]C[3,6])(CH3)(H){1|C<4>,1|N<3>,1|O<1>}	C(C[3]C[3,6]O[3]H)(H)3	O[3](C[3,6]C[3]C[6]O[6])(C[3]C[3,6]CH){1|C<4>,1|N<3>,1|O<1>}	117.2840	0.000	1	117.2840	0.000	1	116.4433	0.424	6	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H)	C(C[3]C[3]O[3]H)(F)3	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CF3)(H){2|C<3>}	C(C[3]C[3]O[3]H)(F)3	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	114.7530	0.000	1	114.7530	0.000	1	114.7530	0.000	1	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]CH)	C[3](C[3]B[5,5]O[3]H)(O[3]C[3])(CH3)(H){1|N<4>,2|O<2>}	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]B[5,5]C[3]H)(C[3]C[3]CH){1|N<4>,2|O<2>}	115.7830	0.000	1	115.7830	0.000	1	117.3195	13.104	17	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CH3)(H){1|H<1>,2|C<4>}	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	118.4320	0.000	1	118.4320	0.000	1	117.3195	13.104	17	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH)	C[3](C[3]C[6a]N[6a]O[3])(O[3]C[3])(CH3)(H){4|C<3>}	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]C[6a]N[6a]C[3])(C[3]C[3]CH){4|C<3>}	115.4910	0.000	1	115.4910	0.000	1	117.3195	13.104	17	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	116.6464	1.220	7	116.6464	1.488	7	117.3195	13.104	17	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]C[3]CH)2	117.3720	0.296	3	117.3720	0.087	3	117.3195	13.104	17	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CH3)(H)	C(C[3]C[3]O[3]H)(H)3	O[3](C[3]C[3]CH)(C[3]C[3]HH)	119.0210	7.721	4	119.0210	59.622	4	117.3195	13.104	17	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	P[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	P[3]-4:C[3]-4:	C[3](P[3]C[5]O[3]Cr)(O[3]P[3])(CH3)(H)	C(C[3]O[3]P[3]H)(H)3	O[3](P[3]C[3]C[5]Cr)(C[3]P[3]CH)	C[3](P[3]C[5]O[3]Cr)(O[3]P[3])(CH3)(H){1|C<4>,2|C<3>}	C(C[3]O[3]P[3]H)(H)3	O[3](P[3]C[3]C[5]Cr)(C[3]P[3]CH){1|C<4>,2|C<3>}	114.8545	0.774	2	114.8545	0.600	2	114.9460	0.212	4	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:1:1:1:	4:4:	P[3]-4:O[3]-2:C-4:H-1:	C[3]-4:H-1:H-1:H-1:	P[3]-4:C[3]-4:	C[3](P[3]C[5]O[3]Mo)(O[3]P[3])(CH3)(H)	C(C[3]O[3]P[3]H)(H)3	O[3](P[3]C[3]C[5]Mo)(C[3]P[3]CH)	C[3](P[3]C[5]O[3]Mo)(O[3]P[3])(CH3)(H){1|C<4>,2|C<3>}	C(C[3]O[3]P[3]H)(H)3	O[3](P[3]C[3]C[5]Mo)(C[3]P[3]CH){1|C<4>,2|C<3>}	115.0375	0.062	2	115.0375	0.004	2	114.9460	0.212	4	116.6127	7.934	31	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CHHO)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	117.4090	0.000	1	117.4090	0.000	1	116.9803	0.861	18	116.9803	0.861	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHO)(H){2|C<3>}	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	116.5300	0.000	1	116.5300	0.000	1	116.9803	0.861	18	116.9803	0.861	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHO)(H){2|C<3>}	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	115.7290	1.368	2	115.7290	1.870	2	116.9803	0.861	18	116.9803	0.861	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	117.3032	0.936	5	117.3032	0.876	5	116.9803	0.861	18	116.9803	0.861	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[3]CH)2	116.9345	1.062	4	116.9345	1.128	4	116.9803	0.861	18	116.9803	0.861	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	117.2770	0.000	1	117.2770	0.000	1	116.9803	0.861	18	116.9803	0.861	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC[5a])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC[5a])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	116.4060	0.000	1	116.4060	0.000	1	116.9803	0.861	18	116.9803	0.861	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(H)	C(C[3]C[3]O[3]H)(OC[6a])(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	117.4373	0.625	3	117.4373	0.390	3	116.9803	0.861	18	116.9803	0.861	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:2:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-2:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CC)(OH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CC)(OH)(H)	O[3](C[3]C[3]CH)2	113.6990	0.000	1	113.6990	0.000	1	113.6990	0.000	1	113.6990	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:2:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:O-2:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCO)(H)	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCO)(H)	C(C[3]C[3]O[3]H)(OC[6a])(CH3)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	118.7500	0.000	1	118.7500	0.000	1	118.7500	0.000	1	118.7500	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-3:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH)	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H){1|H<1>,1|O<2>,4|C<4>}	C(C[3]C[3,5]O[3]H)(C[6]C[6]2)(H)2	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH){1|H<1>,1|O<2>,4|C<4>}	118.5940	0.000	2	118.5940	0.000	2	118.5940	0.000	2	116.2662	4.790	16	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(COO)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(COO)(H)2	O[3](C[3]C[3]CH)2	115.5720	0.061	2	115.5720	0.004	2	115.5720	0.004	2	116.2662	4.790	16	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NC[5a]S)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	C(C[3]C[3]O[3]H)(NC[5a]S)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	118.3180	0.000	1	118.3180	0.000	1	114.7677	5.058	7	116.2662	4.790	16	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CHHN)(H){2|C<3>}	C(C[3]C[3]O[3]H)(NC[6a]S)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	113.1765	1.097	4	113.1765	1.203	4	114.7677	5.058	7	116.2662	4.790	16	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NCS)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NCS)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	116.3280	0.000	1	116.3280	0.000	1	114.7677	5.058	7	116.2662	4.790	16	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NCS)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHN)(H)	C(C[3]C[3]O[3]H)(NCS)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	116.0220	0.000	1	116.0220	0.000	1	114.7677	5.058	7	116.2662	4.790	16	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CN[5]HH)(H)	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CN[5]HH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	116.2100	0.000	1	116.2100	0.000	1	116.9685	1.151	2	116.2662	4.790	16	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N[5]-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]HH)(H)	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CN[5]HH)(H)	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	O[3](C[3]C[3]CH)2	117.7270	0.000	1	117.7270	0.000	1	116.9685	1.151	2	116.2662	4.790	16	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N[6]-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H)	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CN[6]HH)(H){2|C<3>}	C(C[3]C[3]O[3]H)(N[6]C[6]S[6])(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CH){2|C<3>}	118.0540	0.655	2	118.0540	0.429	2	118.2053	0.283	3	116.2662	4.790	16	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:N[6]-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CN[6]HH)(H)	C(C[3]C[3]O[3]H)(N[6]C[6]2)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CN[6]HH)(H)	C(C[3]C[3]O[3]H)(N[6]C[6]2)(H)2	O[3](C[3]C[3]CH)2	118.5080	0.000	1	118.5080	0.000	1	118.2053	0.283	3	116.2662	4.790	16	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:3:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-3:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCH)(OH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCH)(OH)(H)	O[3](C[3]C[3]CH)2	118.0550	2.070	2	118.0550	4.287	2	118.0550	4.287	2	118.0550	4.287	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H)	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH)	C[3](C[3,5]C[5,5]C[5]O[3])(O[3]C[3,5])(CC[6]HH)(H){1|H<1>,1|O<2>,4|C<4>}	C(C[3]C[3,5]O[3]H)(C[6]C[6]2H)(H)2	O[3](C[3,5]C[5,5]C[3]C[5])(C[3]C[3,5]CH){1|H<1>,1|O<2>,4|C<4>}	116.5840	0.000	2	116.5840	0.000	2	116.5840	0.000	2	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H)	C(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[6]HH)(H){3|C<4>,3|H<1>}	C(C[3]C[3,6]O[3]H)(C[6]C[6]2H)(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){3|C<4>,3|H<1>}	114.5650	0.000	1	114.5650	0.000	1	114.5650	0.000	1	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:Cl-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CClCH)(H)	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CClCH)(H)	C(C[3]C[3]O[3]H)(CCHH)(Cl)(H)	O[3](C[3]C[3]CH)2	114.8447	1.695	3	114.8447	2.873	3	114.8447	2.873	3	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCHH)(H){1|O<2>,2|C<4>}	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CH){1|O<2>,2|C<4>}	118.0520	0.000	1	118.0520	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O[3](C[3]C[3]2H)(C[3]C[3]CH)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CCHH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]H)(CCHO)(H)2	O[3](C[3]C[3]2H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	118.2850	0.000	1	118.2850	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH)	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH){1|C<3>,1|C<4>,1|H<1>}	118.3980	0.000	1	118.3980	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CH3)(H)2	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH)	C[3](C[3]C[4]O[3]H)(O[3]C[3])(CCHH)(H){1|Br<1>,1|C<3>,1|C<4>}	C(C[3]C[3]O[3]H)(CH3)(H)2	O[3](C[3]C[3]C[4]H)(C[3]C[3]CH){1|Br<1>,1|C<3>,1|C<4>}	118.4025	1.047	2	118.4025	1.097	2	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCHH)(H){1|H<1>,2|C<4>}	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	118.6700	1.300	4	118.6700	1.689	4	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHH)(H){2|C<3>}	C(C[3]C[3]O[3]H)(CCHO)(H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	118.6140	0.000	1	118.6140	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC3)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC3)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	117.0670	0.000	1	117.0670	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	118.4210	0.000	1	118.4210	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	117.6308	1.192	11	117.6308	1.422	11	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHO)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	117.4683	1.562	3	117.4683	2.441	3	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	118.1926	1.467	26	118.1926	2.151	26	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[5,6]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[5,6]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	116.4700	0.486	2	116.4700	0.237	2	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[5]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[5]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	119.4670	0.000	1	119.4670	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[6]CO)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.6000	0.000	1	113.6000	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCO)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCCO)(H)2	O[3](C[3]C[3]CH)2	114.1840	0.001	2	114.1840	0.000	2	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3]CH)2	117.1851	1.281	24	117.1851	1.641	24	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3,5]CH)(H)2	O[3](C[3]C[3]CH)2	118.0290	0.000	1	118.0290	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CC[3]HH)(H)2	O[3](C[3]C[3]CH)2	118.2120	1.192	2	118.2120	1.421	2	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CClCH)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CClCH)(H)2	O[3](C[3]C[3]CH)2	115.2080	0.000	1	115.2080	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CS)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CH3)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]CS)	C[3](C[3]O[3]CS)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CH3)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]CS)	118.1410	0.559	2	118.1410	0.312	2	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CCHH)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	117.4840	0.645	3	117.4840	0.416	3	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CSiHS)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHH)(H)	C(C[3]C[3]O[3]H)(CSiHS)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	116.2820	0.000	1	116.2820	0.000	1	117.6214	2.158	92	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	116.7608	0.155	5	116.7608	0.024	5	116.5445	0.300	6	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(H)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CH)2	115.4630	0.000	1	115.4630	0.000	1	116.5445	0.300	6	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CC[5]HH)(H){2|C<3>}	C(C[3]C[3]O[3]H)(C[5]C[5]O[5]C)(H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	115.3380	1.186	3	115.3380	1.407	3	116.2840	2.786	8	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2C)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	115.6220	0.000	1	115.6220	0.000	1	116.2840	2.786	8	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(H)2	O[3](C[3]C[3]CH)2	116.2303	0.279	3	116.2303	0.078	3	116.2840	2.786	8	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]S[5]H)(H)2	O[3](C[3]C[3]CH)2	119.9450	0.000	1	119.9450	0.000	1	116.2840	2.786	8	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C(C[3]C[3]O[3]H)(C[6]C[6]2H)(H)2	O[3](C[3]C[3]CH)2	117.7180	0.226	2	117.7180	0.051	2	117.7180	0.051	2	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[5]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C(C[5]C[5,5,6]C[5]H)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HH)(H)	C(C[5]C[5,5,6]C[5]H)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	117.3150	0.000	1	117.3150	0.000	1	117.3150	0.000	1	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(H)	C(C[6]C[6,6a]C[6]H)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CH)2	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	117.3719	2.393	116	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3,5]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H)	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	O[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CH)	C[3](C[3,5]C[5]O[3]O[5])(O[3]C[3,5])(CCHO)(H){1|H<1>,2|C<3>}	C(C[3]C[3,5]O[3]H)(CCHH)(OH)(H)	O[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CH){1|H<1>,2|C<3>}	114.6630	0.000	1	114.6630	0.000	1	114.6630	0.000	1	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	O[3](C[3]C[3]C[6]H)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]H)(O[3]C[3])(CCHO)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]H)(CCCO)(OSi)(H)	O[3](C[3]C[3]C[6]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	115.6640	0.000	1	115.6640	0.000	1	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H){2|C<3>}	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	116.0590	0.000	1	116.0590	0.000	1	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CCHO)(H){2|C<3>}	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.5380	0.000	1	117.5380	0.000	1	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	119.1450	0.000	1	119.1450	0.000	1	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	118.7540	1.703	2	118.7540	2.899	2	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCH)(OSi)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	115.2885	0.231	2	115.2885	0.053	2	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	116.7545	0.757	2	116.7545	0.574	2	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	118.4700	0.000	1	118.4700	0.000	1	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCCO)(OH)(H)	O[3](C[3]C[3]CH)2	114.4360	0.000	1	114.4360	0.000	1	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OC)(H)	O[3](C[3]C[3]CH)2	119.2210	0.000	1	119.2210	0.000	1	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CCHH)(OH)(H)	O[3](C[3]C[3]CH)2	118.2310	0.000	1	118.2310	0.000	1	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(H)	C(C[3]C[3]O[3]H)(CC[6a]HH)(OH)(H)	O[3](C[3]C[3]CH)2	117.9630	0.000	1	117.9630	0.000	1	117.2214	2.757	15	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HO)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CC[5]HO)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(OC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	117.8545	0.073	2	117.8545	0.005	2	117.8545	0.005	2	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:P-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H)	C(C[3]C[3]O[3]H)(PO3)(OC)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHOP)(H){2|C<3>}	C(C[3]C[3]O[3]H)(PO3)(OC)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	115.3880	0.000	1	115.3880	0.000	1	115.3880	0.000	1	117.0569	2.711	19	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:3:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CH3)(CCH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CH3)(CCH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	116.5560	0.000	1	116.5560	0.000	1	116.5560	0.000	1	117.7809	1.431	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:3:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CCCH)(NCC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	117.6510	0.000	1	117.6510	0.000	1	117.9850	1.367	6	117.7809	1.431	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:3:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CCHH)(NCC)(H)	O[3](C[3]C[3]CH)2	118.7913	0.861	3	118.7913	0.741	3	117.9850	1.367	6	117.7809	1.431	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:3:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:N-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCHN)(H)	C(C[3]C[3]O[3]H)(CH3)(NCH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	116.9425	1.059	2	116.9425	1.121	2	117.9850	1.367	6	117.7809	1.431	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3,6]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H)	C(C[3]C[3,6]O[3]H)(CH3)2(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[3]C[3,6]O[3]H)(CH3)2(H)	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	118.6140	0.000	1	118.6140	0.000	1	118.6140	0.000	1	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CH3)2(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCCH)(H){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]H)(CH3)2(H)	O[3](C[3]C[3]C[5]H)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	116.9480	0.000	1	116.9480	0.000	1	116.6778	3.078	10	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]C[6]O[3]C)(O[3]C[3])(CCCH)(H){1|C<3>,1|C<4>,1|O<2>}	C(C[3]C[3]O[3]H)(CCHH)(CH3)(H)	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|C<3>,1|C<4>,1|O<2>}	118.3127	0.080	3	118.3127	0.006	3	116.6778	3.078	10	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	115.8880	0.000	1	115.8880	0.000	1	116.6778	3.078	10	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCCH)(CH3)(H)	O[3](C[3]C[3]CH)2	114.6370	0.000	1	114.6370	0.000	1	116.6778	3.078	10	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CCHO)(CH3)(H)	O[3](C[3]C[3]CH)2	114.0550	0.000	1	114.0550	0.000	1	116.6778	3.078	10	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CC[3]HO)(CH3)(H)	O[3](C[3]C[3]CH)2	114.5190	0.000	1	114.5190	0.000	1	116.6778	3.078	10	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CSiHS)(CH3)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	117.5110	0.000	1	117.5110	0.000	1	116.6778	3.078	10	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CH3)2(H)	O[3](C[3]C[3]CH)(C[3]C[3]SS)	C[3](C[3]O[3]SS)(O[3]C[3])(CCCH)(H)	C(C[3]C[3]O[3]H)(CH3)2(H)	O[3](C[3]C[3]CH)(C[3]C[3]SS)	118.2820	0.000	1	118.2820	0.000	1	116.6778	3.078	10	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C[5]-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C(C[3]C[3]O[3]H)(C[5]C[5]2H)(CH3)(H)	O[3](C[3]C[3]CH)2	117.2805	1.575	2	117.2805	2.480	2	117.2805	2.480	2	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[5]-4:C[3]-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]CH)(H)	C(C[5]C[5,6]C[5]H)(C[3]C[3]O[3]H)(CH3)(H)	O[3](C[3]C[3]CH)2	116.7445	1.310	2	116.7445	1.717	2	116.7445	1.717	2	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[6]-4:C[3]-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CC[6]CH)(H)	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CC[6]CH)(H)	C(C[6]C[6a]S[6]2)(C[3]C[3]O[3]H)(CCHH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]HH)	115.8500	0.000	1	115.8500	0.000	1	115.8500	0.000	1	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:1:	4:4:	P[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:H-1:	P[3]-4:C[3]-4:	C[3](P[3]O[3]CrC)(O[3]P[3])(CCCH)(H)	C(C[3]O[3]P[3]H)(CH3)2(H)	O[3](P[3]C[3]CrC)(C[3]P[3]CH)	C[3](P[3]O[3]CrC)(O[3]P[3])(CCCH)(H)	C(C[3]O[3]P[3]H)(CH3)2(H)	O[3](P[3]C[3]CrC)(C[3]P[3]CH)	115.5080	0.000	1	115.5080	0.000	1	115.5080	0.000	1	116.7529	2.396	17	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C(C[3]C[3]O[3]H)(CCHH)(CH3)2	O[3](C[3]C[3]CH)2	119.2240	1.056	3	119.2240	1.114	3	118.4660	1.672	5	118.1066	1.538	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:4:	4:4:	C[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C(C[3]C[3]O[3]H)(CH3)3	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(O[3]C[3])(CC3)(H)	C(C[3]C[3]O[3]H)(CH3)3	O[3](C[3]C[3]CH)2	117.3290	0.389	2	117.3290	0.151	2	118.4660	1.672	5	118.1066	1.538	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:4:	4:4:	P[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	P[3]-4:C[3]-4:	C[3](P[3]C[5]O[3]Cr)(O[3]P[3])(CC3)(H)	C(C[3]O[3]P[3]H)(CH3)3	O[3](P[3]C[3]C[5]Cr)(C[3]P[3]CH)	C[3](P[3]C[5]O[3]Cr)(O[3]P[3])(CC3)(H){1|C<4>,2|C<3>}	C(C[3]O[3]P[3]H)(CH3)3	O[3](P[3]C[3]C[5]Cr)(C[3]P[3]CH){1|C<4>,2|C<3>}	117.5810	0.000	1	117.5810	0.000	1	117.2080	0.278	2	118.1066	1.538	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:1:	4:4:4:4:	4:4:	P[3]-4:O[3]-2:C-4:H-1:	C[3]-4:C-4:C-4:C-4:	P[3]-4:C[3]-4:	C[3](P[3]O[3]MoC)(O[3]P[3])(CC3)(H)	C(C[3]O[3]P[3]H)(CH3)3	O[3](P[3]C[3]MoC)(C[3]P[3]CH)	C[3](P[3]O[3]MoC)(O[3]P[3])(CC3)(H)	C(C[3]O[3]P[3]H)(CH3)3	O[3](P[3]C[3]MoC)(C[3]P[3]CH)	116.8350	0.000	1	116.8350	0.000	1	117.2080	0.278	2	118.1066	1.538	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:2:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	C(C[3]C[3]O[3]C)(F)3	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	C(C[3]C[3]O[3]C)(F)3	O[3](C[3]C[3]CC)2	115.6460	0.000	1	115.6460	0.000	1	115.6460	0.000	1	114.1260	4.621	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:2:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:O-2:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CF3)(OC)	C(C[3]C[3]O[3]O)(F)3	O[3](C[3]C[3]CH)(C[3]C[3]CO)	C[3](C[3]O[3]CH)(O[3]C[3])(CF3)(OC)	C(C[3]C[3]O[3]O)(F)3	O[3](C[3]C[3]CH)(C[3]C[3]CO)	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	114.1260	4.621	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:2:	4:3:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:N-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN)	C(C[3]C[3]O[3]C)(NC[6a]C)(H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN){2|C<3>}	C(C[3]C[3]O[3]C)(NC[6a]C)(H)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	116.7440	0.000	1	116.7440	0.000	1	116.7440	0.000	1	116.7440	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:3:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CCH)	C(C[3]C[3]O[3]C)(F)3	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CCH)	C(C[3]C[3]O[3]C)(F)3	O[3](C[3]C[3]CC)2	114.8690	0.000	1	114.8690	0.000	1	114.8690	0.000	1	116.3671	3.001	12	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:3:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(CCO)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(CCO)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	118.1270	0.000	1	118.1270	0.000	1	116.0848	1.255	10	116.3671	3.001	12	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:3:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)(COO)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	115.8579	0.913	9	115.8579	0.833	9	116.0848	1.255	10	116.3671	3.001	12	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:3:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:N-3:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO)	C(C[3]C[3]O[3]N)(H)3	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO){2|C<3>}	C(C[3]C[3]O[3]N)(H)3	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	120.6880	0.000	1	120.6880	0.000	1	120.6880	0.000	1	116.3671	3.001	12	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:3:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(COO)	C(C[3]C[3]O[3]C)(ON)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CHHO)(COO)	C(C[3]C[3]O[3]C)(ON)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	117.5850	1.056	2	117.5850	1.116	2	117.5850	1.116	2	117.5850	1.116	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:3:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-3:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHO)	C(C[3]C[3]O[3]C)(CCHO)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHO)	C(C[3]C[3]O[3]C)(CCHO)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	117.2325	0.640	2	117.2325	0.410	2	117.2325	0.410	2	117.2325	0.410	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C(C[3]C[3,5]O[3]C)(H)3	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[3]C[3,5]O[3]C)(H)3	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	114.0916	0.191	5	114.4416	0.371	9	114.4416	0.371	9	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C(C[3]C[3,5]O[3]C)(H)3	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[3]C[3,5]O[3]C)(H)3	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){1|C<4>,2|C<3>,3|H<1>}	115.0283	0.767	3	114.4416	0.371	9	114.4416	0.371	9	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C(C[3]C[3,5]O[3]C)(H)3	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[3]C[3,5]O[3]C)(H)3	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){3|C<4>,3|H<1>}	114.4310	0.000	1	114.4416	0.371	9	114.4416	0.371	9	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2	C(C[3]C[3,6]O[3]C)(H)3	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CC)	C[3](C[3,6]C[5,6]C[6]O[3])(O[3]C[3,6])(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C(C[3]C[3,6]O[3]C)(H)3	O[3](C[3,6]C[5,6]C[3]C[6])(C[3]C[3,6]CC){1|H<1>,2|C<3>,2|C<4>}	114.1930	0.923	2	114.1930	0.853	2	114.9237	0.793	11	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	C(C[3]C[3,6]O[3]C)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[3]C[3,6]O[3]C)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){3|C<4>,3|H<1>}	115.3178	1.123	4	115.3178	1.262	4	114.9237	0.793	11	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3)	C(C[3]C[3,6]O[3]C)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3){1|C<7>,2|C<4>,3|H<1>}	C(C[3]C[3,6]O[3]C)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){1|C<7>,2|C<4>,3|H<1>}	114.7020	0.000	1	114.7020	0.000	1	114.9237	0.793	11	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	C(C[3]C[3,6]O[3]C)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[3]C[3,6]O[3]C)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	115.1710	0.595	2	114.9505	0.518	4	114.9237	0.793	11	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2	C(C[3]C[3,6]O[3]C)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CH3)2{2|C<4>,4|H<1>}	C(C[3]C[3,6]O[3]C)(H)3	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){2|C<4>,4|H<1>}	114.7300	1.003	2	114.9505	0.518	4	114.9237	0.793	11	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]2H)(C[3]C[3]CC)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]2H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	112.6480	0.000	1	112.6480	0.000	1	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	113.0811	0.621	39	113.0811	0.386	39	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	114.2790	0.000	1	114.2790	0.000	1	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CH3)2{1|C<4>,2|O<2>}	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,2|O<2>}	114.0635	0.909	2	114.0635	0.826	2	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|N<3>}	114.1740	0.000	1	114.1740	0.000	1	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<3>,1|O<2>}	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC){1|C<3>,1|O<2>}	112.9270	0.762	3	112.9270	0.580	3	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[6,6]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[6,6]O[3]H)(O[3]C[3])(CH3)2{1|H<1>,2|C<4>}	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[6,6]C[3]H)(C[3]C[3]CC){1|H<1>,2|C<4>}	114.7050	0.017	2	114.7050	0.000	2	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)	C[3](C[3]C[6a]O[3]C)(O[3]C[3])(CH3)2{2|C<3>}	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[6a]C[3]C)(C[3]C[3]CC){2|C<3>}	115.6620	1.348	2	115.6620	1.816	2	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)2	115.2540	0.376	2	115.2540	0.142	2	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.9737	0.876	45	113.9737	0.767	45	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	112.7169	0.855	10	112.7169	0.731	10	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.5807	0.745	6	113.5807	0.555	6	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	112.8320	1.510	3	112.8320	2.280	3	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	115.0300	0.000	1	115.0300	0.000	1	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CH3)2	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	114.2041	1.112	10	114.2041	1.236	10	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:1:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]HH)	113.6433	0.780	6	113.6433	0.609	6	113.6143	0.995	134	113.7561	1.080	154	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3)	C(C[3]C[3]O[3]C)(OH)(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CHHO)(CH3){1|C<4>,1|H<1>,1|N<3>}	C(C[3]C[3]O[3]C)(OH)(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|N<3>}	113.2450	0.000	1	113.2450	0.000	1	114.1623	0.784	3	114.1623	0.784	3	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C(C[3]C[3]O[3]C)(OC)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C(C[3]C[3]O[3]C)(OC)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	114.2300	0.000	1	114.2300	0.000	1	114.1623	0.784	3	114.1623	0.784	3	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:2:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:O-2:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C(C[3]C[3]O[3]C)(OSi)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C(C[3]C[3]O[3]C)(OSi)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	115.0120	0.000	1	115.0120	0.000	1	114.1623	0.784	3	114.1623	0.784	3	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){1|C<4>,2|C<3>,2|H<1>}	118.3932	0.304	5	117.1013	2.419	9	117.1013	2.419	9	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){1|C<4>,2|C<3>,3|H<1>}	115.3640	0.119	3	117.1013	2.419	9	117.1013	2.419	9	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3,5]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3,5]-4:C[3]-4:	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3)	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC)	C[3](C[3,5]C[5]2O[3])(O[3]C[3,5])(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[3]C[3,5]O[3]C)(CC[5]HH)(H)2	O[3](C[3,5]C[3]C[5]2)(C[3]C[3,5]CC){3|C<4>,3|H<1>}	115.8540	0.000	1	117.1013	2.419	9	117.1013	2.419	9	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3)	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CCHH)(CH3){3|C<4>,3|H<1>}	C(C[3]C[3,6]O[3]C)(CCHH)(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){3|C<4>,3|H<1>}	114.9025	1.252	4	114.9025	1.569	4	114.9025	1.569	4	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH){1|O<2>,2|C<4>}	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC){1|O<2>,2|C<4>}	114.3745	0.313	2	114.3745	0.098	2	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	116.3333	0.931	28	116.3333	0.866	28	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CCHH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	114.8460	0.628	11	114.8460	0.395	11	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]CC)2	113.9349	1.101	10	113.9349	1.211	10	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	114.2940	1.359	20	114.2940	1.846	20	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CCHO)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CCHO)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.4600	0.000	1	113.4600	0.000	1	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.8961	0.708	16	113.8961	0.501	16	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[4]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[4]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	115.0290	0.000	1	115.0290	0.000	1	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	112.5920	1.298	3	112.5920	1.686	3	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HO)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	112.0165	1.266	2	112.0165	1.604	2	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[6]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CH3)	C(C[3]C[3]O[3]C)(CC[6]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.9315	0.855	2	113.9315	0.731	2	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHH)(CHHO)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	112.7875	0.764	2	112.7875	0.584	2	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	C(C[3]C[3]O[3]C)(CC[3]HH)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]HH)	113.1200	0.000	1	113.1200	0.000	1	114.6849	2.267	99	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CC)2	113.4794	0.261	5	113.4794	0.068	5	113.4911	1.945	16	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]C)2(H)2	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(O[3]C[3])(CC[3]HH)(CCHH)	C(C[3]C[3]O[3]C)2(H)2	O[3](C[3]C[3]CC)2	112.8956	0.713	5	112.8956	0.508	5	113.4911	1.945	16	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C(C[3]C[3]O[3]C)(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.8830	0.000	1	113.8830	0.000	1	113.4911	1.945	16	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C(C[3]C[3]O[3]C)2(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[3]HH)(CH3)	C(C[3]C[3]O[3]C)2(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	114.0198	2.426	5	114.0198	5.886	5	113.4911	1.945	16	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[3](C[3]C[3]2H)(C[3]C[3]CC)	C[3](C[3]C[3]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[3](C[3]C[3]2H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	114.0580	0.000	1	114.0580	0.000	1	114.0386	1.351	5	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC)	C[3](C[3]C[5]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<4>,1|H<1>,1|O<2>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[3](C[3]C[3]C[5]H)(C[3]C[3]CC){1|C<4>,1|H<1>,1|O<2>}	113.0330	0.000	1	113.0330	0.000	1	114.0386	1.351	5	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<3>,1|O<2>}	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC){1|C<3>,1|O<2>}	115.9280	0.000	1	115.9280	0.000	1	114.0386	1.351	5	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C(C[3]C[3]O[3]C)(C[5]C[5]O[5]H)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.5870	0.645	2	113.5870	0.416	2	114.0386	1.351	5	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[6]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	C(C[3]C[3]O[3]C)(C[6]C[6]O[6]H)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	114.7950	0.000	1	114.7950	0.000	1	114.7950	0.000	1	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[5]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3)	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[5a]O[3]H)(O[3]C[3])(CC[5]HH)(CH3){1|C<3>,1|O<2>}	C(C[5]C[3,5]O[5]H)(C[3]C[3]O[3]C)(H)2	O[3](C[3]C[5a]C[3]H)(C[3]C[3]CC){1|C<3>,1|O<2>}	114.1465	1.145	2	114.1465	1.311	2	113.7597	1.104	3	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[5]-4:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[5]HH)(CH3)	C(C[5]C[5,6]O[5]H)(C[3]C[3]O[3]C)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	112.9860	0.000	1	112.9860	0.000	1	113.7597	1.104	3	114.6676	2.671	137	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CCCH)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	112.2030	0.000	1	112.2030	0.000	1	115.1847	4.631	11	114.8462	4.570	13	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(OC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	116.4560	0.000	1	116.4560	0.000	1	115.1847	4.631	11	114.8462	4.570	13	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CCHO)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	115.3748	2.106	9	115.3748	4.435	9	115.1847	4.631	11	114.8462	4.570	13	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[5]-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CC[5]HO)(CCHH)	C(C[3]C[3]O[3]C)(C[5]C[5]2H)(OC)(H)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	113.3980	0.000	1	113.3980	0.000	1	113.3980	0.000	1	114.8462	4.570	13	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:2:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C[6]-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HO)(CH3)	C(C[3]C[3]O[3]C)(C[6]C[6]N[6]H)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	112.5710	0.000	1	112.5710	0.000	1	112.5710	0.000	1	114.8462	4.570	13	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH)	C(C[3]C[3]O[3]C)(CH3)2(H)	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC)	C[3](C[3]C[3,5]O[3]H)(O[3]C[3])(CCCH)(CCHH){1|O<2>,2|C<4>}	C(C[3]C[3]O[3]C)(CH3)2(H)	O[3](C[3]C[3,5]C[3]H)(C[3]C[3]CC){1|O<2>,2|C<4>}	114.2595	0.035	2	114.2595	0.001	2	113.6566	0.605	9	113.6566	0.605	9	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(O[3]C[3])(CC[6]HH)(CCCH)	C(C[3]C[3]O[3]C)(CHHO)(CH3)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.9380	0.000	1	113.9380	0.000	1	113.6566	0.605	9	113.6566	0.605	9	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C(C[3]C[3]O[3]C)(CC[3,5]HH)(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	113.7685	0.523	2	113.7685	0.273	2	113.6566	0.605	9	113.6566	0.605	9	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	4:4:4:1:	4:4:	C[3]-4:O[3]-2:C-4:C-4:	C[3]-4:C-4:C-4:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(O[3]C[3])(CCCH)(CH3)	C(C[3]C[3]O[3]C)(CC[5]HH)(CCHH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]HH)	113.2288	1.000	4	113.2288	1.001	4	113.6566	0.605	9	113.6566	0.605	9	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:2:4:4:	5:4:1:1:	4:4:	C[3,6]-4:O[3]-2:C-4:C-4:	C[3]-5:C[3]-4:H-1:H-1:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3)	C(C[3]C[3,3]C[3x3]HH)(C[3]C[3,6]O[3]C)(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC)	C[3](C[3,6]C[6]2O[3])(O[3]C[3,6])(CC[3]HH)(CH3){1|C<7>,2|C<4>,3|H<1>}	C(C[3]C[3,3]C[3x3]HH)(C[3]C[3,6]O[3]C)(H)2	O[3](C[3,6]C[3]C[6]2)(C[3]C[3,6]CC){1|C<7>,2|C<4>,3|H<1>}	115.3030	0.000	1	115.3030	0.000	1	115.3030	0.000	1	115.3030	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:3:2:4:	4:1:1:1:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3,5]-4:	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3)	C(C[3]C[3,5]C[6a]O[3])(H)3	O[3](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]2)	C[3](C[3,5]C[5]2O[3])(C[6a]C[6a]2)(O[3]C[3,5])(CH3){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	C(C[3]C[3,5]C[6a]O[3])(H)3	O[3](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]2){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	114.1820	0.000	1	114.1820	0.000	1	114.1820	0.000	1	113.9190	2.213	5	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:3:2:4:	4:1:1:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:F-1:F-1:F-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3)	C(C[3]C[6a]C[3]O[3])(F)3	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CF3){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]O[3])(F)3	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	113.9190	2.213	5	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:3:2:4:	4:1:1:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C(C[3]C[6a]C[3]O[3])(H)3	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){1|H<1>,1|O<2>,4|C<3>}	C(C[3]C[6a]C[3]O[3])(H)3	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	113.8500	2.096	2	114.3450	2.931	3	114.3450	2.931	3	113.9190	2.213	5	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:3:2:4:	4:1:1:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3)	C(C[3]C[6a]C[3]O[3])(H)3	O[3](C[3]C[6a]C[3]C)2	C[3](C[3]C[6a]O[3]C)(C[6a]C[6a]2)(O[3]C[3])(CH3){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]O[3])(H)3	O[3](C[3]C[6a]C[3]C)2{4|C<3>}	115.3350	0.000	1	114.3450	2.931	3	114.3450	2.931	3	113.9190	2.213	5	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:3:2:4:	4:4:1:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH)	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCHH){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]O[3])(CCHH)(H)2	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	116.3650	0.000	1	116.3650	0.000	1	116.3650	0.000	1	116.3650	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:3:2:4:	4:4:4:2:	4:4:	C[3]-4:C[6a]-3:O[3]-2:C-4:	C[3]-4:C-4:C-4:O-2:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO)	C(C[3]C[6a]C[3]O[3])(CF3)2(OH)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(CCCO){2|H<1>,4|C<3>}	C(C[3]C[6a]C[3]O[3])(CF3)2(OH)	O[3](C[3]C[6a]C[3]C)(C[3]C[6a]C[3]H){4|C<3>}	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:1:	3:4:1:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(H)	C(C[6a]C[6a]O[6a])(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(H)	C(C[6a]C[6a]O[6a])(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CH)2	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	116.6183	0.051	3	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:1:	3:4:1:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	N[6a]-3:C[3]-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	O[3](C[3]C[3]CH)(C[3]C[3]HH)	116.7475	0.049	2	116.7475	0.002	2	116.7475	0.002	2	116.6183	0.051	3	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OC)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)	C[3](C[3]C[6a]O[3]H)(CC[6a]HO)(O[3]C[3])(H){2|C<3>}	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OC)(H)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CH){2|C<3>}	117.6720	0.000	1	117.6720	0.000	1	116.0899	1.714	7	116.0899	1.714	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	115.7080	1.054	3	115.7080	1.112	3	116.0899	1.714	7	116.0899	1.714	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	O[3](C[3]C[3]CH)2	C[3](C[3]O[3]CH)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OH)(H)	O[3](C[3]C[3]CH)2	115.0270	0.071	2	115.0270	0.005	2	116.0899	1.714	7	116.0899	1.714	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:1:	4:3:2:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	O[3](C[3]C[3]CH)(C[3]C[3]NS)	C[3](C[3]O[3]NS)(CC[6a]HO)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(OSi)(H)	O[3](C[3]C[3]CH)(C[3]C[3]NS)	117.7790	0.000	1	117.7790	0.000	1	116.0899	1.714	7	116.0899	1.714	7	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:1:	4:3:3:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3]-4:C[6a]-3:N-3:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(NCH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]CO)	C[3](C[3]O[3]CO)(CC[6a]HN)(O[3]C[3])(H)	C(C[3]C[3]O[3]H)(C[6a]C[6a]2)(NCH)(H)	O[3](C[3]C[3]CH)(C[3]C[3]CO)	117.2410	0.000	1	117.2410	0.000	1	117.2410	0.000	1	117.2410	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:1:	4:4:2:1:	4:4:	C[3]-4:C-4:O[3]-2:H-1:	C[3,6]-4:C[3]-4:O-2:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(CC[3,6]HO)(O[3]C[3])(H)	C(C[3,6]C[3,6]C[6]O[3])(C[3]C[3]O[3]H)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CC)(CC[3,6]HO)(O[3]C[3])(H)	C(C[3,6]C[3,6]C[6]O[3])(C[3]C[3]O[3]H)(OH)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	119.7220	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:3:	3:4:3:1:	4:4:	C-4:C[3]-4:O[3]-2:C-3:	C[5a]-3:C[3]-4:C[6a]-3:H-1:	C[3]-4:C[3]-4:	C[3](CC[5a]C[6a]H)(C[3]O[3]CH)(O[3]C[3])(CCO)	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](CC[5a]C[6a]H)(C[3]O[3]CH)(O[3]C[3])(CCO)	C(C[5a]C[5a,6a]C[5a])(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.6560	0.000	1	113.6560	0.000	1	113.6560	0.000	1	113.6560	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:3:	4:3:4:2:	4:4:	C[3]-4:C-4:O[3]-2:C-3:	C[3]-4:C[6a]-3:C-4:N-2:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]CN)(O[3]C[3])(CNO)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(CC[6a]CN)(O[3]C[3])(CNO)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(CH3)(NP)	O[3](C[3]C[3]CC)(C[3]C[3]CH)	117.0580	0.000	1	117.0580	0.000	1	117.0580	0.000	1	117.0580	0.000	1	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	C(C[3]C[3]O[3]C)(H)3	O[3](C[3]C[3]CC)(C[3]C[3]CH)	112.7020	0.165	2	112.7020	0.027	2	112.7020	0.027	2	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){1|C<3>,2|C<4>,3|H<1>}	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	113.8310	0.000	1	112.8942	0.932	5	113.9625	2.788	8	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){2|C<4>,2|H<1>,2|O<2>}	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	112.6990	0.000	1	112.8942	0.932	5	113.9625	2.788	8	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3)	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(C[6]C[6]2H)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|H<1>,2|C<4>}	112.6470	1.147	3	112.8942	0.932	5	113.9625	2.788	8	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(C[6]C[6]2O)(O[3]C[3])(CH3)	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(C[6]C[6]2O)(O[3]C[3])(CH3){1|H<1>,2|C<3>,2|C<4>}	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|C<3>,1|C<4>,1|O<2>}	115.7430	0.533	3	115.7430	0.284	3	113.9625	2.788	8	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5,6]C[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C(C[3]C[3]C[5]O[3])(H)3	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5,6]C[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){3|C<4>,3|H<1>}	C(C[3]C[3]C[5]O[3])(H)3	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	112.1010	0.000	1	112.1010	0.000	1	114.1138	2.089	6	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]N[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	C(C[3]C[3]C[5]O[3])(H)3	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5]N[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<2>,1|S<4>,2|H<1>}	C(C[3]C[3]C[5]O[3])(H)3	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|N<3>,2|C<4>}	114.4375	0.156	2	114.4375	0.024	2	114.1138	2.089	6	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3)	C(C[3]C[3]C[5]O[3])(H)3	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]C)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|H<1>,2|C<4>}	C(C[3]C[3]C[5]O[3])(H)3	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|O<2>,2|C<4>}	115.5065	0.515	2	115.5065	0.266	2	114.1138	2.089	6	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[5]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C(C[3]C[3]C[5]O[3])(H)3	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH)	C[3](C[5]C[5]O[5]H)(C[3]O[3]HH)(O[3]C[3])(CH3){1|C<3>,1|N<3>,2|C<4>}	C(C[3]C[3]C[5]O[3])(H)3	O[3](C[3]C[3]C[5]C)(C[3]C[3]HH){1|C<4>,1|H<1>,1|O<2>}	112.6940	0.000	1	112.6940	0.000	1	114.1138	2.089	6	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6]C[5,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])(CH3)	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[6]C[5,6]C[6]H)(C[3]O[3]HH)(O[3]C[3])(CH3){1|O<2>,2|H<1>,3|C<4>}	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	113.4930	0.000	1	113.4930	0.000	1	113.8855	0.308	2	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:1:1:1:	4:4:	C[6]-4:C[3]-4:O[3]-2:C-4:	C[3]-4:H-1:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(CH3)	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH)	C[3](C[6]C[6]O[6]H)(C[3]O[3]CH)(O[3]C[3])(CH3){2|C<4>,2|H<1>}	C(C[3]C[3]C[6]O[3])(H)3	O[3](C[3]C[3]C[6]C)(C[3]C[3]CH){1|C<4>,1|H<1>,1|O<2>}	114.2780	0.000	1	114.2780	0.000	1	113.8855	0.308	2	113.8643	1.968	18	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:3:1:1:	4:4:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:C[6a]-3:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	C[3](C[3]O[3]CH)(CC[6a]HH)(O[3]C[3])(CH3)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)(H)2	O[3](C[3]C[3]CC)(C[3]C[3]CH)	113.9550	0.332	2	113.9550	0.110	2	113.9550	0.110	2	113.9550	0.110	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:3:3:2:	4:4:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:C[6a]-3:C[6a]-3:O-2:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)2(OH)	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C(C[3]C[3]O[3]C)(C[6a]C[6a]2)2(OH)	O[3](C[3]C[3]CC)2	113.5070	0.697	2	113.5070	0.486	2	113.5070	0.486	2	113.5070	0.486	2	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3]-4:C-4:O[3]-2:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]CC)2	C[3](C[3]O[3]CC)(CC[6a]2O)(O[3]C[3])(CCHH)	C(C[3]C[3]O[3]C)(CCHH)(H)2	O[3](C[3]C[3]CC)2	114.9175	0.613	2	114.9175	0.376	2	114.9175	0.376	2	113.6025	2.840	6	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH)	C(C[3]C[3]C[6]O[3])(CH3)(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(C[6]C[6]2C)(O[3]C[3])(CCHH){2|C<4>,4|H<1>}	C(C[3]C[3]C[6]O[3])(CH3)(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|C<3>,2|C<4>}	114.3240	0.000	1	114.3240	0.000	1	112.9450	2.878	4	113.6025	2.840	6	115.3847	4.611	636	115.3749	4.472	810
486	490	962	0:SP3_SP3_SP3	C[3]	C	O[3]	4:4:2:4:	4:4:1:1:	4:4:	C[3]-4:C[6]-4:O[3]-2:C-4:	C[3]-4:C-4:H-1:H-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH)	C(C[3]C[3]C[6]O[3])(CCHH)(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH)	C[3](C[3]O[3]HH)(C[6]C[6]2H)(O[3]C[3])(CCHH){3|C<4>,3|H<1>}	C(C[3]C[3]C[6]O[3])(CCHH)(H)2	O[3](C[3]C[3]C[6]C)(C[3]C[3]HH){1|H<1>,2|C<4>}	112.4853	1.746	3	112.4853	3.050	3	112.9450	2.878	4	113.6025	2.840	6	115.3847	4.611	636	115.3749	4.472	810