542	474	478	0:SP2_SP3_SP3	N[5]	C[5]	C[4]	4:3:4:	3:3:2:1:	4:3:3:1:	C[5]-4:C[5]-3:C[4]-4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[4]-4:C[4]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[4]C[4]2H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(OC)(H)	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[4]C[4]2H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[4]C[5])(OC)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	122.9010	0.000	1	122.9010	0.000	1	122.9010	0.000	1	122.9010	0.000	1	123.3432	1.027	5	123.3432	1.027	5
542	474	478	0:SP2_SP3_SP3	N[5]	C[5]	C[4]	4:4:3:	3:3:4:1:	4:3:3:4:	C[5]-4:C[4]-4:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[4]-4:C[4]-3:N[5]-3:C-4:	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O)	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(CC[6a]HH)	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5]C[4]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.3000	0.000	1	123.3000	0.000	1	123.3000	0.000	1	123.3000	0.000	1	123.3432	1.027	5	123.3432	1.027	5
542	474	478	0:SP2_SP3_SP3	N[5]	C[5]	C[4]	4:4:3:	3:4:4:1:	4:3:3:1:	C[4]-4:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[4]-4:C[4]-3:N[5]-3:H-1:	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(N[5]C[5]2)(H)	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C[5](N[5]C[4]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[4](C[4]C[6a]N[4]H)(C[4]N[4]O)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	124.0370	0.000	1	124.0370	0.000	1	124.0370	0.000	1	124.0370	0.000	1	123.3432	1.027	5	123.3432	1.027	5
542	474	478	0:SP2_SP3_SP3	N[5]	C[5]	C[4]	4:4:3:	3:4:4:1:	4:4:3:1:	C[4]-4:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[4]-4:C[4]-4:N[5]-3:H-1:	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H)	C[4](C[4]C[4]CH)(C[4]C[4]HH)(N[5]C[5]2)(H)	N[5](C[4]C[4]2H)(C[5]C[5]CH)(C[5]C[5]O){2|C<4>,7|H<1>}	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(CCCO)(H){1|O<1>,2|C<4>,3|H<1>}	C[4](C[4]C[4]CH)(C[4]C[4]HH)(N[5]C[5]2)(H){1|H<1>,1|O<1>,5|C<4>}	121.9340	0.000	1	121.9340	0.000	1	121.9340	0.000	1	121.9340	0.000	1	123.3432	1.027	5	123.3432	1.027	5
542	474	478	0:SP2_SP3_SP3	N[5]	C[5]	C[4]	4:4:3:	4:3:3:1:	4:3:3:4:	C[5]-4:C[4]-4:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[4]-4:C[4]-3:N[5]-3:C-4:	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H)	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(CC[6a]HH)	N[5](C[5]C[6a]C[5]H)(C[4]C[4]2C)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[4]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[4](C[4]N[4]CH)(C[4]N[4]O)(N[5]C[5]2)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	124.5440	0.000	1	124.5440	0.000	1	124.5440	0.000	1	124.5440	0.000	1	123.3432	1.027	5	123.3432	1.027	5
542	474	478	0:SP3_SP3_SP3	N[5]	C[5]	C[4]	4:4:4:	3:4:1:1:	4:4:3:4:	C[4]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	C[4]-4:C[4]-4:N[5]-3:C-4:	N[5](C[4]C[4]2C)(C[5]C[5]HH)2	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	C[4](C[4]O[4]CH)2(N[5]C[5]2)(CCHH)	N[5](C[4]C[4]2C)(C[5]C[5]HH)2{1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	C[4](C[4]O[4]CH)2(N[5]C[5]2)(CCHH){2|C<4>,4|H<1>}	116.0855	0.349	2	116.0855	0.122	2	116.0855	0.122	2	116.0855	0.122	2	116.0855	0.122	2	116.0855	0.122	2
542	474	478	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:3:	4:3:1:1:	4:4:3:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[4,5]O)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[4,5]O){1|C<3>,4|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H){3|H<1>}	104.5670	0.614	3	104.5670	0.377	3	104.5590	0.389	7	104.5590	0.389	7	104.2503	0.668	9	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:3:	4:3:1:1:	4:4:3:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|C<3>,4|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H){3|H<1>}	104.9285	0.571	2	104.9285	0.326	2	104.5590	0.389	7	104.5590	0.389	7	104.2503	0.668	9	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:3:	4:3:1:1:	4:4:3:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(N[5,5]C[5,5]C)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|N<3>,4|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|N<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(N[5,5]C[5,5]C)(H){3|H<1>}	104.1775	0.829	2	104.1775	0.688	2	104.5590	0.389	7	104.5590	0.389	7	104.2503	0.668	9	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:3:	4:3:1:1:	4:4:3:3:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-3:C-3:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO)	C[5,5](C[4,5,5]C[4,5]2F)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO){1|F<1>,4|H<1>}	C[5,5](C[4,5,5]C[4,5]2F)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO){1|F<1>,2|H<1>}	103.2350	0.000	1	103.2350	0.000	1	103.1700	0.008	2	103.1700	0.008	2	104.2503	0.668	9	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:3:	4:3:1:1:	4:4:3:3:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-3:C-3:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CCO){5|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO){3|H<1>}	103.1050	0.000	1	103.1050	0.000	1	103.1700	0.008	2	103.1700	0.008	2	104.2503	0.668	9	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5,6]	C[5]	C[4,5,6]	4:3:4:	3:4:1:1:	4:3:3:2:	C[4,5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	C[4,6]-4:N[5,6]-3:C[4]-3:O[5]-2:	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2	C[4,5,6](C[4,6]C[4]C[6]C)(N[5,6]C[5]C[6])(C[4]C[4]C)(O[5]C[5])	N[5,6](C[4,5,6]C[4,6]C[4]O[5])(C[6]C[6a]C[6])(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5](N[5,6]C[4,5,6]C[6])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	C[4,5,6](C[4,6]C[4]C[6]C)(N[5,6]C[5]C[6])(C[4]C[4]C)(O[5]C[5]){3|C<3>,6|H<1>}	110.6047	1.050	3	110.6047	1.103	3	110.6047	1.103	3	110.6047	1.103	3	110.6047	1.103	3	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5]	C[5]	C[4,5]	4:3:4:	3:4:4:4:	3:4:3:3:	C[4,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:B[4]-3:C[4]-3:	N[5](C[4,5]B[4]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[4,5]C[6a])(C[5]C[5]HH)(CH3)2	C[4,5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[4]N[4]B)(C[4]N[4]N)	N[5](C[4,5]B[4]C[4]C[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,1|N<2>,1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[4,5]C[6a])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<4>,3|C<3>}	C[4,5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[4]N[4]B)(C[4]N[4]N){2|C<3>,2|H<1>,3|C<4>}	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	112.5536	3.830	7	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:3:	3:4:1:1:	4:4:3:3:	C[4,5]-4:C[5]-4:C-3:	N[5]-3:C[5]-4:H-1:H-1:	C[4]-4:C[5]-4:C[4]-3:N[5]-3:	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]O)	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2	C[4,5](C[4]C[6a]N[4]H)(C[5]C[5]HH)(C[4]N[4]O)(N[5]C[5]C)	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5]C[4,5]C)(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[4,5](C[4]C[6a]N[4]H)(C[5]C[5]HH)(C[4]N[4]O)(N[5]C[5]C){1|O<2>,1|S<4>,2|C<3>,3|H<1>}	112.8650	0.000	1	112.8650	0.000	1	112.8650	0.000	1	112.8650	0.000	1	112.5536	3.830	7	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[4,5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[4,5]-4:N[5]-3:C[4]-3:H-1:	N[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[4,5](C[4,5]C[4]C[5]H)(N[5]C[6a]C[5])(C[4]C[4]C)(H)	N[5](C[4,5]C[4,5]C[4]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){5|H<1>,6|C<3>}	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){4|H<1>,6|C<3>}	C[4,5](C[4,5]C[4]C[5]H)(N[5]C[6a]C[5])(C[4]C[4]C)(H){3|H<1>,4|C<3>}	108.4890	0.000	1	108.4890	0.000	1	108.4890	0.000	1	108.4890	0.000	1	112.5536	3.830	7	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:3:	3:4:3:1:	4:4:3:1:	C[4,5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	C[4,5,6]-4:C[4,5]-4:N[5]-3:H-1:	N[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H)	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5]C[4,5,6]C[5]H)(N[5]C[6a]C[5])(H)	N[5](C[4,5]C[4,5,6]C[4,5]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){2|C<4>,5|C<3>,5|H<1>}	C[5](N[5]C[4,5]C[6a])(C[5]C[4,5]HH)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,4|H<1>}	C[4,5](C[4,5,6]C[4,5,6]C[5,5,6]C)(C[4,5]C[4,5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	114.1030	0.000	1	114.1030	0.000	1	114.1030	0.000	1	114.1030	0.000	1	112.5536	3.830	7	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:3:	4:3:1:1:	3:4:3:2:	C[4,5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[4,5]-4:N[5]-3:O[4]-2:	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4])	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4]){2|C<4>,3|C<3>,3|H<1>}	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	113.7310	0.000	1	112.5536	3.830	7	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:3:	4:3:1:1:	4:3:3:2:	C[4,5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[6a]-3:N[5]-3:O[4]-2:	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4])	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4]){2|C<3>,3|C<4>,3|H<1>}	113.1500	0.000	1	113.1500	0.000	1	113.1500	0.000	1	113.1500	0.000	1	112.5536	3.830	7	108.3127	17.817	19
542	474	478	5:SP2_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:3:	4:3:1:1:	4:3:4:3:	C[4,5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[6a]-3:C[4]-4:N[5]-3:	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(CCO)	C[5](C[5]C[4,5]HH)(N[5]C[4,5]C)(H)2	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]C)	N[5](C[4,5]C[4,5]C[6a]C[4])(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[4,5]HH)(N[5]C[4,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[4,5](C[4,5]C[4]C[5]H)(C[6a]C[6a]2)(C[4]C[4]HH)(N[5]C[5]C){1|O<2>,2|C<3>,7|H<1>}	113.8000	0.000	1	113.8000	0.000	1	113.8000	0.000	1	113.8000	0.000	1	112.5536	3.830	7	108.3127	17.817	19
542	474	478	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:3:	4:3:1:1:	4:4:3:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|C<3>,4|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]CH)(C[4,5]C[4,5,5]HH)(N[5,5]C[5,5]C)(H){3|H<1>}	104.0950	0.000	1	104.0950	0.000	1	103.7200	0.290	4	103.7200	0.290	4	102.9193	1.811	6	107.2420	20.350	14
542	474	478	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:3:	4:3:1:1:	4:4:3:1:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(N[5,5]C[5,5]C)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(COO){1|N<3>,4|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{1|N<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)(C[4,5]C[4,5,5]HN)(N[5,5]C[5,5]C)(H){3|H<1>}	103.5950	0.585	3	103.5950	0.342	3	103.7200	0.290	4	103.7200	0.290	4	102.9193	1.811	6	107.2420	20.350	14
542	474	478	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:3:	4:3:1:1:	4:4:3:3:	C[4,5,5]-4:C[5,5]-4:C-3:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-3:C-3:	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CC[6a]O)	C[5,5](C[4,5,5]C[4,5]2C)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO)	N[5,5](C[4,5,5]C[4,5]2C)(C[5,5]C[4,5,5]HH)(CC[6a]O){1|C<4>,4|H<1>}	C[5,5](C[4,5,5]C[4,5]2C)(N[5,5]C[4,5,5]C)(H)2{1|C<3>,4|H<1>}	C[4,5,5](C[4,5]C[4,5,5]HH)2(N[5,5]C[5,5]C)(COO){1|C<4>,2|H<1>}	101.8140	0.000	1	101.8140	0.000	1	101.8140	0.000	1	101.8140	0.000	1	102.9193	1.811	6	107.2420	20.350	14
542	474	478	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[4,5,5]	4:4:4:	4:3:1:1:	4:4:3:1:	C[4,5,5]-4:C[5,5]-4:C-4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	C[4,5]-4:C[4,5]-4:N[5,5]-3:H-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C[4,5,5](C[4,5]C[4,5,5]BrH)2(N[5,5]C[5,5]C)(H)	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH){2|Br<1>,3|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{2|Br<1>,3|H<1>}	C[4,5,5](C[4,5]C[4,5,5]BrH)2(N[5,5]C[5,5]C)(H){3|H<1>}	100.8220	0.000	1	100.8220	0.000	1	100.8220	0.000	1	100.8220	0.000	1	102.9193	1.811	6	107.2420	20.350	14
542	474	478	5:SP3_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:3:	4:3:1:1:	3:4:3:2:	C[4,5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[4,5]-4:N[5]-3:O[4]-2:	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4])	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[4,5](C[6a]C[6a,6a]C[6a])(C[4,5]C[5]O[4]C)(N[5]C[5]C)(O[4]O[4]){2|C<4>,3|C<3>,3|H<1>}	111.7580	0.351	2	111.7580	0.123	2	111.7580	0.123	2	111.7580	0.123	2	110.4840	8.472	8	107.2420	20.350	14
542	474	478	5:SP3_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:3:	4:3:1:1:	4:3:3:2:	C[4,5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:C[6a]-3:N[5]-3:O[4]-2:	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO)	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4])	N[5](C[4,5]C[4,5]C[6a]O[4])(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	C[5](C[5]C[4,5]CC)(N[5]C[4,5]C)(H)2{1|C<3>,1|C<4>,2|O<2>}	C[4,5](C[4,5]C[5]O[4]C)(C[6a]C[6a]2)(N[5]C[5]C)(O[4]O[4]){2|C<3>,3|C<4>,3|H<1>}	112.9930	0.000	1	112.9930	0.000	1	112.9930	0.000	1	112.9930	0.000	1	110.4840	8.472	8	107.2420	20.350	14
542	474	478	5:SP3_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:4:	3:4:1:1:	4:4:3:3:	C[4,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	C[4]-4:C[4]-4:C[5]-3:N[5]-3:	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2	C[4,5](C[4]N[4]HH)2(C[5]C[5]C)(N[5]C[5]C)	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,6|H<1>}	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	C[4,5](C[4]N[4]HH)2(C[5]C[5]C)(N[5]C[5]C){1|C<3>,4|H<1>}	105.4200	0.000	1	105.4200	0.000	1	105.4200	0.000	1	105.4200	0.000	1	110.4840	8.472	8	107.2420	20.350	14
542	474	478	5:SP3_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:4:	4:3:1:1:	4:4:4:3:	C[4,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:C[4]-4:C[4]-4:N[5]-3:	N[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2	C[4,5](C[3,5]C[3]2C[5])(C[4]O[4]HH)2(N[5]C[5]C)	N[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]HH)(CC[6a]HH){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2{4|C<4>}	C[4,5](C[3,5]C[3]2C[5])(C[4]O[4]HH)2(N[5]C[5]C){2|F<1>,6|H<1>}	106.2970	0.000	1	106.2970	0.000	1	106.2970	0.000	1	110.0420	10.815	3	110.4840	8.472	8	107.2420	20.350	14
542	474	478	5:SP3_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:4:	4:3:1:1:	4:4:4:3:	C[4,5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[4]-4:C[4]-4:C[5]-4:N[5]-3:	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(SO3)	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2	C[4,5](C[4]C[4]HH)2(C[5]C[5]HH)(N[5]C[5]S)	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(SO3){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[4,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[4,5](C[4]C[4]HH)2(C[5]C[5]HH)(N[5]C[5]S){1|C<3>,5|H<1>}	111.9145	0.770	2	111.9145	0.593	2	111.9145	0.593	2	110.0420	10.815	3	110.4840	8.472	8	107.2420	20.350	14
542	474	478	5:SP3_SP3_SP3	N[5]	C[5]	C[4,5]	4:4:4:	4:3:3:1:	3:4:3:1:	C[4,5]-4:C[5]-4:S-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[4,5]-3:C[4]-4:N[5]-3:H-1:	N[5](C[4,5]N[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H)	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]HH)(N[5]C[5]S)(H)	N[5](C[4,5]N[4,5]C[4]H)(C[5]C[6a]C[5]H)(SC[6a]OO){3|H<1>,4|C<3>}	C[5](C[5]N[4,5]CH)(C[6a]C[6a]2)(N[5]C[4,5]S)(H){1|C<4>,3|C<3>,3|H<1>}	C[4,5](N[4,5]C[4]C[5])(C[4]C[4]HH)(N[5]C[5]S)(H){1|O<1>,2|C<3>,2|H<1>}	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	110.4840	8.472	8	107.2420	20.350	14
542	474	486	0:SP2_SP3_SP3	N[5]	C[5]	C[3,5]	4:4:3:	3:3:4:1:	4:4:3:3:	C[3,5]-4:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	120.3630	0.000	2	120.3630	0.000	2	122.2450	10.626	3	122.2450	10.626	3	123.9042	7.618	6	122.3936	6.197	16
542	474	486	0:SP2_SP3_SP3	N[5]	C[5]	C[3,5]	4:4:3:	3:3:4:1:	4:4:3:3:	C[3,5]-4:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[3,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	126.0090	0.000	1	126.0090	0.000	1	122.2450	10.626	3	122.2450	10.626	3	123.9042	7.618	6	122.3936	6.197	16
542	474	486	0:SP2_SP3_SP3	N[5]	C[5]	C[3,5]	4:4:3:	3:4:4:1:	4:4:3:3:	C[3,5]-4:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	125.5360	0.563	2	125.5360	0.317	2	125.5360	0.317	2	125.5360	0.317	2	123.9042	7.618	6	122.3936	6.197	16
542	474	486	0:SP2_SP3_SP3	N[5]	C[5]	C[3,5]	4:4:3:	4:3:3:1:	4:4:3:3:	C[3,5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C[6a]-3:H-1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[3,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	125.6180	0.000	1	125.6180	0.000	1	125.6180	0.000	1	125.6180	0.000	1	123.9042	7.618	6	122.3936	6.197	16
542	474	486	0:SP2_SP3_SP3	N[5]	C[5]	C[3]	4:4:3:	3:3:4:1:	4:4:3:1:	C[3]-4:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3]-4:C[3,3]-4:N[5]-3:H-1:	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(H)	N[5](C[3]C[3,3]C[3]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	120.8710	0.983	4	120.8710	0.966	4	120.8710	0.966	4	120.7280	0.827	5	121.4873	3.663	10	122.3936	6.197	16
542	474	486	0:SP2_SP3_SP3	N[5]	C[5]	C[3]	4:4:3:	3:3:4:1:	4:4:3:1:	C[5]-4:C[3]-4:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3]-4:C[3]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O)	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[3]C[3]2H)(C[5]O[5]O){4|C<3>,4|H<1>}	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	120.1560	0.000	1	120.1560	0.000	1	120.1560	0.000	1	120.7280	0.827	5	121.4873	3.663	10	122.3936	6.197	16
542	474	486	0:SP2_SP3_SP3	N[5]	C[5]	C[3]	4:4:3:	3:3:4:1:	4:4:3:4:	C[3]-4:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3]-4:C[3,3]-4:N[5]-3:C-4:	N[5](C[3]C[3,3]C[3]C)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[3](C[3]C[3,3]HH)(C[3,3]C[3]3)(N[5]C[5]2)(CCHH)	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>}	C[5](N[5]C[3]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	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>}	124.6140	0.000	1	124.6140	0.000	1	124.6140	0.000	1	124.6140	0.000	1	121.4873	3.663	10	122.3936	6.197	16
542	474	486	0:SP2_SP3_SP3	N[5]	C[5]	C[3]	4:4:3:	3:4:1:1:	4:3:3:4:	C[3]-4:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[3]-4:C[3]-3:N[5]-3:C-4:	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(H)2	C[3](C[3]C[3]HH)(C[3]C[3]C)(N[5]C[5]2)(CC[6a]HH)	N[5](C[3]C[3]2C)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	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>}	124.2420	0.000	1	124.2420	0.000	1	124.2420	0.000	1	124.2420	0.000	1	121.4873	3.663	10	122.3936	6.197	16
542	474	486	0:SP2_SP3_SP3	N[5]	C[5]	C[3]	4:4:3:	3:4:1:1:	4:4:3:1:	C[3]-4:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	C[3]-4:C[3]-4:N[5]-3:H-1:	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C)	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(H)2	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H)	N[5](C[3]C[3]2H)(C[5]C[5]HH)(C[5]C[5]C){8|H<1>}	C[5](N[5]C[3]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[3](C[3]C[3]HH)2(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|H<1>}	119.6825	0.754	2	119.6825	0.569	2	119.6825	0.569	2	119.6825	0.569	2	121.4873	3.663	10	122.3936	6.197	16
542	474	486	0:SP2_SP3_SP3	N[5]	C[5]	C[3]	4:4:3:	3:4:4:1:	4:4:3:1:	C[3]-4:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[3]-4:C[3]-4:N[5]-3:H-1:	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H)	N[5](C[3]C[3]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,5|H<1>}	C[5](N[5]C[3]C[5])(C[5]O[5]HH)(CCCH)(H){1|H<1>,1|O<1>,2|C<4>}	C[3](C[3]C[3]CH)(C[3]C[3]HH)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	123.0120	0.000	1	123.0120	0.000	1	123.0120	0.000	1	123.0120	0.000	1	121.4873	3.663	10	122.3936	6.197	16
542	474	486	0:SP3_SP3_SP3	N[5]	C[5]	C[3,5]	4:4:3:	3:4:4:1:	4:4:3:3:	C[3,5]-4:C[5]-4:C[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	C[3,5]-4:C[3]-4:C[5]-3:N[5]-3:	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2)	N[5](C[3,5]C[3,5]C[3]C[5])(C[5]C[5]CH)(C[5]O[5]O){1|O<1>,2|C<4>,5|H<1>}	C[5](N[5]C[3,5]C[5])(C[5]O[5]HH)(CC[6a]HH)(H){1|C<3>,1|O<1>,2|C<4>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]HH)(C[5]C[5]O)(N[5]C[5]2){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	125.6480	0.000	1	125.6480	0.000	1	125.6480	0.000	1	125.6480	0.000	1	125.6480	0.000	1	121.0780	15.664	3
542	474	486	0:SP3_SP3_SP3	N[5]	C[5]	C[3,6]	4:4:3:	3:3:4:1:	4:4:3:3:	C[3,6]-4:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	C[3,6]-4:C[3]-4:C[6]-3:N[5]-3:	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2)	N[5](C[3,6]C[3,6]C[3]C[6])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[3,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[3,6](C[3,6]C[3]C[6]H)(C[3]C[3,6]HH)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	118.7930	0.000	2	118.7930	0.000	2	118.7930	0.000	2	118.7930	0.000	2	118.7930	0.000	2	121.0780	15.664	3
542	474	486	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[3,5]	4:4:3:	3:3:4:1:	3:4:4:1:	C[3,5]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	N[5,5]-3:C[3,5]-4:C[3]-4:H-1:	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O)	C[5,5](N[5,5]C[3,5]C[5])(C[5]C[3,5]O)(C[5]O[5]HH)(H)	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H)	N[5,5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5]2H)(C[5]O[5]O){1|C<3>,1|O<1>,4|H<1>}	C[5,5](N[5,5]C[3,5]C[5])(C[5]C[3,5]O)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>}	C[3,5](N[5,5]C[5,5]C[5])(C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>}	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	109.7600	0.000	1	110.0753	0.276	3
542	474	486	5:SP3_SP3_SP3	N[5]	C[5]	C[3,5]	4:4:3:	4:3:1:1:	4:4:3:3:	C[3,5]-4:C[5]-4:C-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[3,5,6]-4:C[3]-4:N[5]-3:C-3:	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO)	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO)	N[5](C[3,5]C[3,5,6]C[3]C)(C[5]C[5,6]HH)(COO){1|C<3>,1|N<3>,3|H<1>}	C[5](C[5,6]C[3,5,6]N[6]H)(N[5]C[3,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	C[3,5](C[3,5,6]C[6,6a]C[5,6]C[3])(C[3]C[3,5,6]HH)(N[5]C[5]C)(CNO){1|N<3>,2|C<3>,3|H<1>}	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	109.7840	0.000	1	110.2330	0.403	2	110.0753	0.276	3
542	474	486	5:SP3_SP3_SP3	N[5]	C[5]	C[3,5]	4:4:4:	3:3:4:1:	4:4:3:1:	C[3,5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:C-4:H-1:	C[3,5]-4:C[3]-4:N[5]-3:H-1:	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H)	N[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[3,5]O)(N[5]C[3,5]S)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(N[5]C[5]S)(H){1|C<4>,1|H<1>,1|O<1>}	110.6820	0.000	1	110.6820	0.000	1	110.6820	0.000	1	110.6820	0.000	1	110.2330	0.403	2	110.0753	0.276	3
542	474	490	0:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C	4:3:4:	4:2:3:4:	3:3:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:O[5,5]-2:N[5,6]-3:C-4:	N[5,6]-3:C[6a]-3:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	125.4095	0.838	2	125.4095	0.702	2	125.4095	0.702	2	125.4095	0.702	2	125.3883	0.352	3	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6a]-3:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|O<2>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]CH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){1|H<1>,1|O<1>}	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	125.3460	0.000	1	125.3460	0.000	1	125.3460	0.000	1	125.3460	0.000	1	125.3883	0.352	3	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[3x5]	C	4:3:4:	3:4:3:2:	3:4:1:1:	C[3x5]-4:C[5]-3:C-4:	C[5,6a]-3:C[3x5]-4:N[5]-3:O[5]-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH)	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5])	C(N[5]C[3x5]C[5])(CCHH)(H)2	N[5](C[3x5]C[5,6a]C[3x5]O[5])(C[5]C[5]C)(CCHH){6|C<3>}	C[3x5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5]3)(N[5]C[5]C)(O[5]C[5]){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C(N[5]C[3x5]C[5])(CCHH)(H)2	123.6600	0.000	1	123.6600	0.000	1	123.6600	0.000	1	123.6600	0.000	1	124.5409	0.622	44	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[3x5]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[3x5]-4:C[5]-3:C-4:	C[3x5]-4:C[5]-4:N[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]N[5]O)(CN[5]HH)	C[3x5](C[3x5]C[5]N[5]2)(C[5]C[5]HH)(N[5]C[5]C)2	C(N[5]C[3x5]C[5])2(H)2	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[3x5](C[3x5]C[5]N[5]2)(C[5]C[5]HH)(N[5]C[5]C)2{2|C<4>,2|O<1>,4|H<1>}	C(N[5]C[3x5]C[5])2(H)2	124.5614	0.786	43	124.5614	0.618	43	124.5614	0.618	43	124.5614	0.618	43	124.5409	0.622	44	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,3x6]	C	4:3:4:	3:3:3:3:	3:3:3:1:	C[5,3x6]-4:C[5]-3:C-4:	C[5,6,6]-3:C[6,6]-3:C[6,6]-3:N[5]-3:	N[5]-3:C[6a]-3:C-3:H-1:	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)(CC[6a]CH)	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C)	C(N[5]C[5,3x6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,3x6]C[5,6,6]C[6,6]2)(C[5]C[5]O)(CC[6a]CH){2|C<3>,2|C<4>,2|H<1>}	C[5,3x6](C[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]H)2(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,3x6]C[5])(C[6a]C[6a]2)(CNO)(H)	128.2570	0.000	1	128.2570	0.000	1	128.2570	0.000	1	128.2570	0.000	1	128.2570	0.000	1	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C(N[5]C[5,5,6,6]C[5])(H)3	123.9890	0.000	1	123.8240	0.054	2	124.1488	0.247	4	124.1488	0.247	4	124.1488	0.247	4	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){2|C<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]C)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C(N[5]C[5,5,6,6]C[5])(H)3	123.6590	0.000	1	123.8240	0.054	2	124.1488	0.247	4	124.1488	0.247	4	124.1488	0.247	4	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,9|H<1>}	C(N[5]C[5,5,6,6]C[5])(H)3	124.1090	0.000	1	124.4735	0.266	2	124.1488	0.247	4	124.1488	0.247	4	124.1488	0.247	4	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,5,6,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3)	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,5,6]C[5,6]C[6,6])(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[6,6a]C[5]2)(C[5,6]C[5]C[6]N)(C[6,6]C[6,6]HH)(N[5]C[5]C){1|O<2>,2|C<3>,2|O<1>,7|H<1>}	C(N[5]C[5,5,6,6]C[5])(H)3	124.8380	0.000	1	124.4735	0.266	2	124.1488	0.247	4	124.1488	0.247	4	124.1488	0.247	4	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	3:4:4:	4:4:3:1:	3:4:1:1:	C[5,6a]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	117.7555	0.385	2	117.7555	0.149	2	117.7555	0.149	2	117.7555	0.149	2	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	3:4:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CC[6a]HH)	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CC[6a]HH){2|H<1>,2|N<3>,3|C<3>}	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,6|C<3>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	122.3960	0.000	1	122.3960	0.000	1	122.3960	0.000	1	122.3960	0.000	1	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	3:4:4:3:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[5,5]-4:C[6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[6]N[5])(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,2|C<4>,2|O<1>,4|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	124.0960	0.000	1	124.0960	0.000	1	124.0960	0.000	1	124.0960	0.000	1	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:3:4:3:	3:1:1:1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5,6a]C[5,6a]C[6a])(CH3){3|C<3>,3|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,7|H<1>}	C(N[5]C[5,5,6]C[5,6a])(H)3	127.7470	0.000	1	127.7470	0.000	1	127.7470	0.000	1	127.7470	0.000	1	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Br<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5,6a])(H)3	114.4180	0.000	1	118.1255	6.085	6	118.1255	6.085	6	118.9750	10.122	7	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,5,6]C[5,6a])(H)3	120.4375	2.327	2	118.1255	6.085	6	118.1255	6.085	6	118.9750	10.122	7	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5,6a])(H)3	117.6030	0.107	2	118.1255	6.085	6	118.1255	6.085	6	118.9750	10.122	7	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5,5,6]C[5,6a])(H)3	118.2540	0.000	1	118.1255	6.085	6	118.1255	6.085	6	118.9750	10.122	7	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]H)(C[5,5,6]C[5,5,6]N[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	124.0720	0.000	1	124.0720	0.000	1	124.0720	0.000	1	118.9750	10.122	7	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:3:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5,5]-4:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]O)(CH3)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5,5]C[5]2N[5])(C[6]C[6]H)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,5]C[6])(C[5]C[5]O)(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5,5]C[5]2N[5])(C[6]C[6]H)(N[5]C[5]C){10|H<1>,1|O<1>,1|O<2>,3|C<3>}	C(N[5]C[5,5,6]C[5])(H)3	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	122.4250	0.000	1	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6,6]-4:C[6]-4:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH)	C[5,5,6](C[5,5,6,6]N[5,6]2C[6])(C[6]C[6]HH)(N[5]C[5]C)2	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]N[5,6]2C[6])(C[6]C[6]HH)(N[5]C[5]C)2{2|O<1>,3|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	122.3920	0.000	1	122.3920	0.000	1	122.3920	0.000	1	125.1640	0.776	144	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CC[6a]HH)	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{1|C<4>,2|O<1>,6|H<1>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	122.3480	0.052	2	122.3480	0.003	2	122.3480	0.003	2	125.1640	0.776	144	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{2|O<1>,3|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	125.8727	0.882	12	125.8727	0.777	12	125.2237	0.621	141	125.1640	0.776	144	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C(N[5]C[5,5,6]C[5])2(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5])2(H)2	124.8740	0.317	8	125.1633	0.569	129	125.2237	0.621	141	125.1640	0.776	144	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C(N[5]C[5,5,6]C[5])2(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{2|O<1>,3|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5])2(H)2	125.1912	0.779	117	125.1633	0.569	129	125.2237	0.621	141	125.1640	0.776	144	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH)	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2	C(N[5]C[5,5,6]C[5])2(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[6]N[5]2)(C[6]C[6]HH)(N[5]C[5]C)2{2|O<2>,3|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5])2(H)2	124.9235	0.527	4	125.1633	0.569	129	125.2237	0.621	141	125.1640	0.776	144	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-4:C[6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)(CH3)	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5]C[6])(C[5]C[5]O)(CH3){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5]2)(C[5]C[5]CH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,2|C<3>,8|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	123.3060	0.000	1	123.3060	0.000	1	123.3060	0.000	1	123.3695	0.008	2	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:4:3:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,5]-4:C[6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|N<3>,1|O<1>,1|O<2>,9|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	123.4330	0.000	1	123.4330	0.000	1	123.4330	0.000	1	123.3695	0.008	2	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:4:3:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6]-4:C[6]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<4>,7|H<1>}	C[5,5,6](C[5,5]C[5]O[5]H)(C[5,6]C[5,6]HH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	123.9810	0.000	1	123.9810	0.000	1	123.9810	0.000	1	123.9890	0.000	2	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:4:3:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,5]-4:C[6]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]2H)(C[6]C[6]HH)(N[5]C[5]C){1|N<3>,1|O<1>,1|O<2>,9|H<1>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	123.9970	0.000	1	123.9970	0.000	1	123.9970	0.000	1	123.9890	0.000	2	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C	4:4:2:	4:4:3:1:	3:3:1:1:	C[5,5,6]-4:C-4:N[5]-2:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]2H)(CC[6a]HH)(N[5]N[5])	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H)	C(N[5]C[5,5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6]2H)(CC[6a]HH)(N[5]N[5]){1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]N[5,6]H)(N[5]N[5]C)(H){1|C<3>,1|O<2>,3|H<1>}	C(N[5]C[5,5,6]N[5])(C[6a]C[6a]2)(H)2	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	123.6960	0.000	1	124.7348	3.442	162	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:2:2:2:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:O[5]-2:O[5]-2:O[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3)	C[5,5](N[5]C[5,6a]C)(O[5]C[5,6a])3	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]O[5]3)(CH3){1|H<1>,4|C<3>}	C[5,5](N[5]C[5,6a]C)(O[5]C[5,6a])3{4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	122.4760	0.000	1	122.4760	0.000	1	122.4760	0.000	1	122.4760	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:2:4:3:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:S[5]-2:C[5]-4:C[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH)	C[5,5](N[5]C[5,6a]C)(S[5]C[5,6a])(C[5]C[5]CC)(C[5]N[5]C)	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(CCHH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](N[5]C[5,6a]C)(S[5]C[5,6a])(C[5]C[5]CC)(C[5]N[5]C){1|N<2>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	121.5440	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,6a]-3:C[5]-3:N[5]-3:C[5]-3:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H)	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(CCHH){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[5]C[5]H){1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(CCH)(H)2	122.5870	0.000	1	122.5870	0.000	1	122.5870	0.000	1	122.1653	0.966	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	121.8625	1.582	2	122.0247	1.330	3	122.0247	1.330	3	122.1653	0.966	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	122.3490	0.000	1	122.0247	1.330	3	122.0247	1.330	3	122.1653	0.966	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:3:3:3:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH)	C[5,5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(C[5]N[5]S)(N[5]C[5]C)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]2)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<1>,3|C<3>}	C[5,5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(C[5]N[5]S)(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	123.1340	0.000	1	123.1340	0.000	1	123.1340	0.000	1	123.1340	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:3:4:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]N[5]C)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]N[5]C){4|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	124.3145	3.210	2	124.3145	10.301	2	124.3145	10.301	2	124.3145	10.301	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[3x5]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]C[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	117.2020	0.000	1	117.2020	0.000	1	117.2020	0.000	1	121.6829	4.813	10	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	122.6070	0.885	2	122.6070	0.784	2	122.6070	0.784	2	121.6829	4.813	10	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	121.8170	0.000	1	121.8170	0.000	1	122.0590	3.293	7	121.6829	4.813	10	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	121.6100	0.837	2	121.6100	0.701	2	122.0590	3.293	7	121.6829	4.813	10	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	120.5160	2.055	2	120.5160	4.222	2	122.0590	3.293	7	121.6829	4.813	10	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]N)(H){2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	123.5890	0.000	1	123.5890	0.000	1	122.0590	3.293	7	121.6829	4.813	10	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	124.7550	0.000	1	124.7550	0.000	1	122.0590	3.293	7	121.6829	4.813	10	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CC[6a]HH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	119.6725	0.810	2	119.6725	0.656	2	119.6725	0.656	2	119.6725	0.656	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,5])(CCHH)(H)2	121.0680	0.000	1	121.0680	0.000	1	121.3830	0.198	2	121.3830	0.198	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	121.6980	0.000	1	121.6980	0.000	1	121.3830	0.198	2	121.3830	0.198	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:3:	3:3:1:1:	C[5]-3:C[5,5]-4:C-4:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]HH)	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]N[5])(C[5,5]C[5]3)(CC[6a]HH){1|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C){5|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	119.2750	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]CO)(H){2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	124.2195	0.750	2	124.2195	0.563	2	124.2195	0.563	2	124.2195	0.563	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	114.0170	0.000	1	114.0170	0.000	1	114.0170	0.000	1	114.0170	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:4:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	120.9220	0.215	2	119.2747	8.164	3	118.3743	8.686	4	118.3743	8.686	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:4:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){2|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	115.9800	0.000	1	119.2747	8.164	3	118.3743	8.686	4	118.3743	8.686	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:4:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|C<4>,1|O<2>,2|C<3>}	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	115.6730	0.000	1	115.6730	0.000	1	118.3743	8.686	4	118.3743	8.686	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:4:2:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5]-4:N[5]-3:C[5]-4:O[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3)	C[5,5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[5]C[5]HH)(O[5]N[5])	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2O[5])(CH3){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[5]C[5]HH)(O[5]N[5]){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:4:3:3:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:C[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(CH3){1|O<1>,4|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[5]C[5]O){6|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	118.4240	0.000	1	118.4240	0.000	1	118.4240	0.000	1	118.4240	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:4:3:4:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3){1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	118.9520	0.000	1	118.9520	0.000	1	118.9520	0.000	1	118.9520	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:2:4:	3:3:3:3:	3:3:3:1:	C[5,5]-4:N[5]-2:C-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a])(CC[6a]2H){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){3|H<1>,6|C<3>}	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	122.2410	0.000	1	122.2410	0.000	1	122.2410	0.000	1	122.2410	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:3:3:2:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N[5]-3:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]C)(CC[6a]HH){1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(N[5]C[5]C)(O[5]C[5]){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.4450	0.000	1	122.4450	0.000	1	122.4450	0.000	1	122.4450	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	124.1850	0.000	1	124.1850	0.000	1	124.1850	0.000	1	124.1850	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:3:3:3:	3:4:4:1:	C[5,5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C[5]-3:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH)	C[5,5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(C[5]N[5]S)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CH3)2(H)	N[5](C[5,5]C[5]N[5]2)(C[5]N[5]S)(CCCH){1|N<2>,1|S<1>,2|C<3>,2|C<4>}	C[5,5](N[5]C[5,6a]C)(N[5]C[5,6a]N)(C[5]N[5]S)(N[5]C[5]C){1|C<4>,1|S<1>,2|C<3>}	C(N[5]C[5,5]C[5])(CH3)2(H)	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:3:3:3:	3:4:4:4:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CH3)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC3){6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]C)(C[5]C[5]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C(N[5]C[5,5]C[5])(CH3)3	126.8280	0.072	2	126.8280	0.005	2	126.8280	0.005	2	126.8280	0.005	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:2:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:O[5]-2:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CCHN)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C){1|H<1>,1|O<1>,6|C<3>}	C(N[5]C[5,5]C[5])(CCHN)(H)2	124.3710	0.000	1	124.3710	0.000	1	124.2695	0.021	2	124.2695	0.021	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:2:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:O[5]-2:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CHHN)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(CCHH){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]H)(O[5]C[5,6a])(N[5]C[5]C){1|H<1>,1|O<1>,6|C<3>}	C(N[5]C[5,5]C[5])(CHHN)(H)2	124.1680	0.000	1	124.1680	0.000	1	124.2695	0.021	2	124.2695	0.021	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,5]-4:C[5,6a]-3:C-4:	N[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]N[5,5a]C[5,5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,5|C<3>}	C[5,5](N[5,5a]C[5,5a]C[5a])(C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	122.8333	0.506	3	122.8333	0.256	3	122.8333	0.256	3	122.9008	0.189	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(CH3)	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5]N[5])(C[5]C[5,6]HH)(N[5]C[5]C)(H){1|N<2>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	123.1030	0.000	1	123.1030	0.000	1	123.1030	0.000	1	122.9008	0.189	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[3x5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[3x5]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]C[5,5]2C)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	121.5340	0.000	1	121.5340	0.000	1	121.5340	0.000	1	121.5340	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,6a]O)(CC[6a]HH){1|Br<1>,1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]BrH)(N[5]C[5,6a]C)(N[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	124.3430	0.000	1	124.3430	0.000	1	124.3430	0.000	1	124.3430	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CF3)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CCHH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C(N[5]C[5,5]C[5])(CF3)(H)2	125.2910	0.520	2	125.2910	0.271	2	125.2910	0.271	2	125.2910	0.271	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[3x5]-4:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[3x5]C)(C[5]N[5,5]O)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[3x5]C)(C[5]N[5,5]O)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3x5]N[5,5]2O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(H)3	123.1920	0.000	1	123.1920	0.000	1	123.1920	0.000	1	123.1920	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:4:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5a]C[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5a]C[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C[5,5](C[5,5a]C[5,5a]N[5a])(C[5]C[5]HH)(C[5]C[5]HO)(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	123.1520	0.000	1	123.1520	0.000	1	123.1520	0.000	1	123.6720	0.541	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:4:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CC[6a]HH){3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	124.1920	0.000	1	124.1920	0.000	1	124.1920	0.000	1	123.6720	0.541	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:4:3:	3:3:4:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]O)(CC[6a]CH){1|C<4>,2|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	120.6450	0.000	1	120.6450	0.000	1	120.6450	0.000	1	120.6450	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(CCHH){1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	124.3990	0.000	1	124.3990	0.000	1	124.3990	0.000	1	124.3990	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:4:3:	3:4:4:4:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CH3)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(CH3)3	127.3625	0.670	2	127.3625	0.448	2	127.3625	0.448	2	127.3625	0.448	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:2:3:4:	3:4:4:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:O[5]-2:N[5]-3:C-4:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH)	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]C)(CH3)	C(N[5]C[5,5]C[5])(CH3)2(H)	N[5](C[5,5]C[5,5]O[5]C)(C[5]C[5]O)(CCCH){2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(O[5]C[5,6])(N[5]C[5]C)(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[5]C[5,5]C[5])(CH3)2(H)	121.0230	0.000	1	121.0230	0.000	1	121.0230	0.000	1	121.0230	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:2:1:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH)	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,5](C[5,5]C[5]2O)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,1|O<2>,4|H<1>}	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	121.8000	0.000	1	121.8000	0.000	1	121.8000	0.000	1	121.8000	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:2:2:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5]N[5]CH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	125.2720	0.133	2	125.2720	0.018	2	124.4125	1.198	4	124.4125	1.198	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:2:2:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2{1|H<1>,2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	124.1110	0.000	1	123.5530	0.623	2	124.4125	1.198	4	124.4125	1.198	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:2:2:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5]N[5]HH)(N[5]C[5]C)(O[5]C[5])2{1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.9950	0.000	1	123.5530	0.623	2	124.4125	1.198	4	124.4125	1.198	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5,6]N[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|S<4>,4|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	122.8510	0.000	1	122.8510	0.000	1	122.8510	0.000	1	123.0866	1.584	23	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,5]C[5])(H)3	121.2350	0.000	1	121.2350	0.000	1	123.0973	1.656	22	123.0866	1.584	23	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,5]C[5])(H)3	121.7020	0.000	1	121.7020	0.000	1	123.0973	1.656	22	123.0866	1.584	23	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]N)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|N<3>,1|O<1>,2|C<4>}	C(N[5]C[5,5]C[5])(H)3	120.3915	0.305	2	120.3915	0.093	2	123.0973	1.656	22	123.0866	1.584	23	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|H<1>,2|O<1>}	C(N[5]C[5,5]C[5])(H)3	123.3040	0.000	1	123.5789	0.615	18	123.0973	1.656	22	123.0866	1.584	23	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|H<1>,2|O<1>}	C(N[5]C[5,5]C[5])(H)3	123.3300	0.000	1	123.5789	0.615	18	123.0973	1.656	22	123.0866	1.584	23	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|N<3>,1|O<1>,2|C<4>}	C(N[5]C[5,5]C[5])(H)3	124.1450	0.153	2	123.5789	0.615	18	123.0973	1.656	22	123.0866	1.584	23	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(H)3	123.5354	0.861	14	123.5789	0.615	18	123.0973	1.656	22	123.0866	1.584	23	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:2:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:O-2:H-1:H-1:	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO)	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(OH)(H)2	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CHHO){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(OH)(H)2	124.0340	0.365	2	124.0340	0.133	2	124.0340	0.133	2	124.0340	0.133	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]O)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]N[5]O)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.3110	0.000	1	122.3110	0.000	1	122.3110	0.000	1	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CN[5]HH)	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5,6]N[5]H)(C[5]N[5,6]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5,6]N[5,6]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	124.0870	1.184	4	124.0870	1.402	4	124.0870	1.402	4	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[5a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5,5]C[5])(H)2	121.9820	2.066	2	121.9820	4.269	2	121.9820	4.269	2	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|H<1>,1|O<1>,3|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.4200	0.000	1	122.4200	0.000	1	122.0963	0.160	3	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	121.9345	0.404	2	121.9345	0.163	2	122.0963	0.160	3	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5,6]C[5])(N[5]C[5,5]C[5])(H)2	123.2527	0.858	12	123.2527	0.735	12	123.4652	1.686	1211	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|H<1>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	125.3800	0.000	1	123.4673	1.695	1199	123.4652	1.686	1211	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|C<3>,1|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	123.7253	0.517	4	123.4673	1.695	1199	123.4652	1.686	1211	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|O<1>,1|O<2>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	124.0838	1.117	53	123.4673	1.695	1199	123.4652	1.686	1211	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	123.4077	1.295	1107	123.4673	1.695	1199	123.4652	1.686	1211	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<2>}	C(N[5]C[5,5]C[5])2(H)2	124.3148	1.032	24	123.4673	1.695	1199	123.4652	1.686	1211	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|C<3>,1|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	124.6363	2.438	4	123.4673	1.695	1199	123.4652	1.686	1211	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	124.5383	2.137	4	123.4673	1.695	1199	123.4652	1.686	1211	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|Yb<9>,1|O<1>,1|O<2>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	124.0090	0.194	2	123.4673	1.695	1199	123.4652	1.686	1211	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[6]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(N[6]C[6,6]C[6])(H)2	122.6719	0.970	8	122.6719	0.941	8	122.6719	0.941	8	123.4554	1.688	1229	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]Ir)(CCHH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]Ir)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|Ir<4>,2|C<4>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	122.4125	2.055	4	122.4125	4.223	4	122.9198	3.540	6	122.9198	3.540	6	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CCHH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(CH3)(H)2	123.9345	1.394	2	123.9345	1.942	2	122.9198	3.540	6	122.9198	3.540	6	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:2:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:O-2:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]O)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2O)(N[5]C[5]C)2(OH)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]O)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,1|O<2>,2|C<4>}	C[5,5](C[5,5]N[5]2O)(N[5]C[5]C)2(OH){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	123.7285	1.043	4	123.7285	1.088	4	123.7285	1.088	4	123.5248	0.842	6	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:2:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH)	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|C<3>,1|O<1>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	123.5900	0.000	1	123.1175	0.447	2	123.1175	0.447	2	123.5248	0.842	6	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:2:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH)	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]2O[5])(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]O)(N[5]C[5]C)(O[5]N[5]){1|O<1>,3|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.6450	0.000	1	123.1175	0.447	2	123.1175	0.447	2	123.5248	0.842	6	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:2:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:S[5]-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH)	C[5,5](C[5]C[6a]C[5]C)(C[5]O[5]C)(N[5]C[5]C)(S[5]C[5])	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH){1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5]C[6a]C[5]C)(C[5]O[5]C)(N[5]C[5]C)(S[5]C[5]){1|C<4>,1|O<1>,4|C<3>}	C(N[5]C[5,5]C[5])(CH3)(H)2	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:2:	3:4:4:4:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:N[5]-3:O[5]-2:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(CC3)	C[5,5](C[5]C[5]HH)(N[5]C[5]C)2(O[5]C[5])	C(N[5]C[5,5]C[5])(CH3)3	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5]C[5]HH)(N[5]C[5]C)2(O[5]C[5]){1|C<4>,1|H<1>,2|O<1>}	C(N[5]C[5,5]C[5])(CH3)3	127.7490	0.165	2	127.7490	0.027	2	127.7490	0.027	2	127.7490	0.027	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|O<1>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	124.3379	0.506	9	124.3971	0.289	13	124.3971	0.289	13	124.3971	0.289	13	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	124.5302	0.662	4	124.3971	0.289	13	124.3971	0.289	13	124.3971	0.289	13	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:N[5]-3:N[5]-3:C-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH)	C[5,5](C[5,5,6]N[5,6]2C)(N[5]C[5]C)2(COO)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6]N[5,6]2C)(N[5]C[5]C)2(COO){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	121.6085	1.091	2	121.6085	1.190	2	121.6085	1.190	2	122.4886	2.153	69	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|O<1>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	121.9850	0.000	1	121.6914	1.077	15	121.5521	1.118	17	122.4886	2.153	69	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	121.6704	1.074	14	121.6914	1.077	15	121.5521	1.118	17	122.4886	2.153	69	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]S)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|S<1>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	120.5070	0.574	2	120.5070	0.330	2	121.5521	1.118	17	122.4886	2.153	69	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5,5]C[5])2(H)2	125.0938	0.278	4	125.0938	0.078	4	125.0938	0.078	4	122.4886	2.153	69	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(COO)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(COO){2|H<1>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.1252	0.485	13	122.0961	0.345	38	122.0961	0.345	38	122.4886	2.153	69	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(COO)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(COO){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.0810	0.643	25	122.0961	0.345	38	122.0961	0.345	38	122.4886	2.153	69	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(COO)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(COO){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	125.2600	0.701	8	125.2600	0.491	8	125.2600	0.491	8	122.4886	2.153	69	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|O<1>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(CH3)(H)2	125.1705	0.834	18	125.1705	0.696	18	125.1705	0.696	18	125.1705	0.696	18	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CH3)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]S)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){2|C<3>,2|S<1>}	C(N[5]C[5,5]C[5])(H)3	123.0380	1.130	2	123.0380	1.277	2	123.0380	1.277	2	123.0380	1.277	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){1|C<3>,1|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	126.0105	1.203	2	125.7290	0.701	211	125.7290	0.701	211	125.7290	0.701	211	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){1|O<1>,1|O<2>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	125.3935	0.939	26	125.7290	0.701	211	125.7290	0.701	211	125.7290	0.701	211	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	125.7778	0.821	179	125.7290	0.701	211	125.7290	0.701	211	125.7290	0.701	211	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){1|C<3>,1|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	125.6175	0.255	2	125.7290	0.701	211	125.7290	0.701	211	125.7290	0.701	211	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	125.5530	0.201	2	125.7290	0.701	211	125.7290	0.701	211	125.7290	0.701	211	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6a]-3:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]O)(CC[6a]HH)	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6a]O)(CC[6a]HH){1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	124.6410	0.000	1	124.6410	0.000	1	124.6410	0.000	1	124.6410	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	124.0160	0.315	2	124.0160	0.099	2	122.1600	10.384	3	122.1600	10.384	3	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,6]H)(C[5,6]O[5,6]C[6]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	118.4480	0.000	1	118.4480	0.000	1	122.1600	10.384	3	122.1600	10.384	3	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[3,5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]N)(CC[6a]HH)	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3,5,5]C[5]H)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[3,5,5]C[3,5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|N<2>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.5610	0.000	1	122.5610	0.000	1	122.5610	0.000	1	124.1411	3.923	17	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[3x5]-4:C[5,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[3x5]C[5,5]H)(C[5]N[5,5]O)(CC[6a]HH)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]C[5,5]H)(C[5]N[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H){2|O<1>,4|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.5790	0.000	1	122.5790	0.000	1	122.5790	0.000	1	124.1411	3.923	17	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	121.9850	0.000	1	121.9850	0.000	1	121.9850	0.000	1	124.1411	3.923	17	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH)	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]N[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|S<1>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.1850	0.000	1	122.1850	0.000	1	123.0355	1.447	2	124.1411	3.923	17	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CC[6a]HH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|O<2>,3|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	123.8860	0.000	1	123.8860	0.000	1	123.0355	1.447	2	124.1411	3.923	17	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH){1|S<2>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]CH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>}	C(N[5]C[5,5]C[5])2(H)2	125.1438	2.135	6	125.1438	4.560	6	124.7668	4.054	12	124.1411	3.923	17	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CN[5]HH){1|S<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	124.3898	2.004	6	124.3898	4.016	6	124.7668	4.054	12	124.1411	3.923	17	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:2:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:N[5]-3:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(CH3)	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]O)(C[5]N[5]O)(CH3){2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,6]N[5]H)(C[5]C[5,6]HH)(N[5]C[5]C)(OH){1|O<1>,2|N<3>,3|H<1>}	C(N[5]C[5,5]C[5])(H)3	122.9520	0.522	3	122.9520	0.273	3	122.9520	0.273	3	122.9520	0.273	3	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[6]-3:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]N[5]O)(CC[6]HH)	C[5,5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	N[5](C[5,5]C[5]3)(C[5]N[5]O)(CC[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,5](C[5]C[5,6]HH)(C[5]N[5,6]HH)(C[5]N[5]O)(N[5]C[5]C){1|H<1>,1|O<1>,3|C<3>}	C(N[5]C[5,5]C[5])(C[6]C[6]2)(H)2	124.7355	2.055	4	124.7355	4.221	4	124.7355	4.221	4	124.7355	4.221	4	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:4:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]HH)	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]HH){1|Fe<10>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<4>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	125.2080	0.000	1	125.2080	0.000	1	125.2080	0.000	1	125.3585	0.045	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:4:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]O[5]O)(CC[6a]HH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]CC)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]3)(C[5]O[5]O)(CC[6a]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]CC)(N[5]C[5]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	125.5090	0.000	1	125.5090	0.000	1	125.5090	0.000	1	125.3585	0.045	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:4:3:	3:3:4:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]CH)	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]O)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<4>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	121.7133	0.114	3	121.7133	0.013	3	121.7133	0.013	3	121.7133	0.013	3	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]O)(CCHH)	C[5,5](C[5]C[5]CH)(C[5]C[5]CO)(C[5]C[5]HH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]O)(CCHH){1|C<2>,1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[5]C[5]CH)(C[5]C[5]CO)(C[5]C[5]HH)(N[5]C[5]C){1|C<3>,1|O<1>,4|H<1>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	125.4010	0.000	1	125.4010	0.000	1	125.4010	0.000	1	125.4010	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	5:4:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-5:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CH3)	C[5,5](C[5,5,6]C[5,6]C[5]C[6]Ru)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]O)(CH3){1|Ru<11>,1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6]Ru)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(N[5]C[5,5]C[5])(H)3	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	120.8060	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]OU)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]OU)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|U<12>,2|C<4>,2|O<2>}	C(N[5]C[5,5]C[5])2(H)2	124.7395	0.272	2	124.7395	0.074	2	124.7395	0.074	2	124.7395	0.074	2	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:4:3:	3:3:4:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH)	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C){2|C<4>,7|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	123.5530	0.000	1	123.5530	0.000	1	123.5530	0.000	1	123.5530	0.000	1	123.6882	2.565	1683	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6,6]	C	4:3:4:	3:4:3:3:	3:4:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[5,6]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6])(N[5]C[5]C)	C(N[5]C[5,6,6]C[5])(CH3)(H)2	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6])(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C(N[5]C[5,6,6]C[5])(CH3)(H)2	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	123.2540	0.000	1	122.5354	1.216	8	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6,6]	C	4:3:4:	3:4:4:3:	3:4:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6,6]-4:C[5,6]-4:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)	C(N[5]C[5,6,6]C[5])(CH3)(H)2	N[5](C[5,6,6]C[6,6a]C[5,6]C[6,6])(C[5]C[5]O)(CCHH){2|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C(N[5]C[5,6,6]C[5])(CH3)(H)2	123.2630	0.000	1	123.2630	0.000	1	123.2630	0.000	1	123.2630	0.000	1	122.5354	1.216	8	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6,6]	C	4:3:4:	4:3:4:4:	3:4:1:1:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:N[5]-3:C[6]-4:C[6]-4:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	N[5](C[5,6,6]C[5,6,6]C[6]2)(C[5,6a]C[5,6a]C[6a])(CCHH){3|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C(N[5]C[5,6,6]C[5,6a])(CCHH)(H)2	120.1420	0.000	1	120.1420	0.000	1	120.1420	0.000	1	120.1420	0.000	1	122.5354	1.216	8	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3)	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H)	C(N[5]C[5,6,6]C[5])(H)3	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]N[5]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,6,6](C[5,6,6]C[3x6]N[5]H)(C[3x6]C[6,6,6a]2H)(N[5]C[5]C)(H){1|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6,6]C[5])(H)3	122.6767	0.709	4	122.6767	0.503	4	122.6767	0.503	4	122.6767	0.503	4	122.5354	1.216	8	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-3:C-4:	C[5,5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH)	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	N[5](C[5,6,6]C[5,5,3x6]C[6,6]H)(C[5]C[5,6,6]O)(CCHH){2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,3x6]C[5,6,6]2C[5,6a])(C[6,6]C[3x6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C(N[5]C[5,6,6]C[5])(CHHO)(H)2	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	122.9170	0.000	1	122.5354	1.216	8	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	3:2:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	118.2820	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	3:4:3:1:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH)	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5,6]C[6]H)(CC[6a]HH){1|C<4>,1|H<1>,2|C<2>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(H){6|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	117.7830	0.000	1	117.7830	0.000	1	117.7830	0.000	1	117.7830	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	3:4:3:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-3:C[6]-4:N[5]-3:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3)	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6])(C[6]C[5,6]CC)(N[5]C[5,6a]C)(CHH){2|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	121.8510	0.000	1	121.8510	0.000	1	121.8510	0.000	1	121.8510	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:1:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C(N[5]C[5,6a]C[5,6])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CCHH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(CCH)(H)2	121.5170	0.000	1	121.5170	0.000	1	121.5170	0.000	1	122.2740	0.432	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:1:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[6]H)(CC[6a]HH){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(O[6]N[6])(H){2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	122.6525	0.060	2	122.6525	0.004	2	122.6525	0.004	2	122.2740	0.432	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	118.8935	0.080	2	118.8935	0.006	2	119.4643	4.696	23	119.4643	4.696	23	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	116.8748	1.112	6	119.3201	7.419	14	119.4643	4.696	23	119.4643	4.696	23	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	121.1540	1.981	8	119.3201	7.419	14	119.4643	4.696	23	119.4643	4.696	23	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	119.3053	0.515	4	119.3053	0.265	4	119.4643	4.696	23	119.4643	4.696	23	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	120.7300	0.325	3	120.7300	0.105	3	119.4643	4.696	23	119.4643	4.696	23	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:4:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	120.0340	0.000	1	120.0340	0.000	1	120.4150	3.156	3	120.4150	3.156	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:4:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(CN[6]HH)(H)2	118.8600	0.000	1	118.8600	0.000	1	120.4150	3.156	3	120.4150	3.156	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:4:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	122.3510	0.000	1	122.3510	0.000	1	120.4150	3.156	3	120.4150	3.156	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:4:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	121.1560	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:3:1:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	117.1310	0.000	1	117.1310	0.000	1	117.7050	0.659	2	117.7050	0.659	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|Cl<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]ClH)(H){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	118.2790	0.000	1	118.2790	0.000	1	117.7050	0.659	2	117.7050	0.659	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CC[6a]HH){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]CC)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	2:4:3:2:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	O[5,6]-2:C[6]-4:N[5]-3:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH)	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]O[5,6]C[6]O)(C[5]C[5,6]N[5])(CCHH){3|H<1>,4|C<4>}	C[5,6](O[5,6]C[5,6])(C[6]C[6]HH)(N[5]C[5]C)(OC){1|C<4>,1|N<3>,3|H<1>}	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	119.5970	0.280	2	119.5970	0.078	2	119.5970	0.078	2	119.5970	0.078	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:2:2:	3:4:4:4:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:N[5]-3:O[6]-2:O-2:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]O)(CC3)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC)	C(N[5]C[5,6]C[5])(CH3)3	N[5](C[5,6]C[5,6]O[6]O)(C[5]C[5]O)(CC3){1|C<3>,2|C<4>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(OC){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CH3)3	126.4060	0.613	3	126.4060	0.375	3	126.4060	0.375	3	126.4060	0.375	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:2:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	124.1707	0.422	4	123.9881	0.142	8	123.9881	0.142	8	123.9881	0.142	8	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:2:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6]C[5])(H)3	124.1560	0.000	1	123.9881	0.142	8	123.9881	0.142	8	123.9881	0.142	8	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:2:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-3:C[6]-3:N[5]-3:N[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3)	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5])	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6]2N[5])(C[5]C[5]O)(CH3){2|H<1>,3|C<3>}	C[5,6](C[6]C[6]H)2(N[5]C[5]C)(N[5]C[5]){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	123.6887	0.123	3	123.9881	0.142	8	123.9881	0.142	8	123.9881	0.142	8	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Cl<1>,1|H<1>,1|I<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]Cl)(C[6]C[6]H)(N[5]C[5]C){1|I<1>,1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	122.8120	0.000	1	122.8120	0.000	1	122.7606	0.368	8	123.0308	0.739	10	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Se<2>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	122.3430	0.321	2	122.3430	0.103	2	122.7606	0.368	8	123.0308	0.739	10	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	123.7250	0.000	1	122.9174	0.499	5	122.7606	0.368	8	123.0308	0.739	10	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|P<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	123.1285	0.279	2	122.9174	0.499	5	122.7606	0.368	8	123.0308	0.739	10	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|S<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	122.7610	0.000	1	122.9174	0.499	5	122.7606	0.368	8	123.0308	0.739	10	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|Se<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]H)2(N[5]C[5]C){1|Se<2>,1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	121.8440	0.000	1	122.9174	0.499	5	122.7606	0.368	8	123.0308	0.739	10	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:N[5]-3:N[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3)	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,2|N<3>,2|O<1>}	C[5,6](C[5]N[5]O)(C[6]N[6]O)(N[5]C[5]C)(N[6]N[6]H){1|C<3>,1|O<1>,3|C<4>}	C(N[5]C[5,6]C[5])(H)3	124.8730	0.000	1	124.8730	0.000	1	124.8730	0.000	1	123.0308	0.739	10	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	N[6]-3:C[5]-3:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3)	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](N[6]C[6,6a]C)(C[5]N[5]O)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	123.3500	0.000	1	123.3500	0.000	1	123.3500	0.000	1	123.0308	0.739	10	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:C[6]-3:H-1:H-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6]HH){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(C[6]C[6]N[6])(H)2	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	122.6990	0.112	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6a]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CC[6a]HH){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	122.9360	0.000	1	122.9360	0.000	1	122.9360	0.000	1	122.6990	0.112	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:C[6a]-3:C-3:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH)	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5]C[5]C)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	127.4093	0.463	4	127.4093	0.215	4	127.6947	0.235	7	127.6947	0.235	7	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:3:3:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:C[6a]-3:C-3:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH)	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]CH){1|O<1>,2|C<3>,3|H<1>}	C[5,6](C[5]C[5]H)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,1|O<1>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	128.0753	0.056	3	128.0753	0.003	3	127.6947	0.235	7	127.6947	0.235	7	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	121.9572	0.576	6	121.9572	0.332	6	122.3661	0.641	23	122.3661	0.641	23	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CCHO)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(CCHO)(H)2	121.2460	2.096	2	121.2460	4.393	2	122.3661	0.641	23	122.3661	0.641	23	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CHHN)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(CHHN)(H)2	122.7180	0.461	14	122.7180	0.212	14	122.3661	0.641	23	122.3661	0.641	23	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:3:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6a]-3:C[6,6a]-3:C[6,6a]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	N[5](C[5,6]C[5,6a]C[6,6a]2)(C[5]C[5,6a]O)(CCHH){6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])2(N[5]C[5]C){1|O<1>,1|O<2>,3|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(CN[5]HH)(H)2	122.1330	0.000	1	122.1330	0.000	1	122.3661	0.641	23	122.3661	0.641	23	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[6]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)(CH3)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]O)(CH3){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO){1|C<4>,2|O<1>,3|H<1>}	C(N[5]C[5,6]C[5])(H)3	123.6300	0.000	1	123.6300	0.000	1	123.6300	0.000	1	123.6300	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:3:4:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[6,6a]-3:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]2C[5])(C[5]C[5]O)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]2C[5])(C[5]C[5]O)(CH3){3|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])2(C[5]C[6a]C[5]H)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(H)3	123.2580	0.000	1	123.2580	0.000	1	123.2580	0.000	1	123.2580	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6,6a]C[5a])(C[5,6]C[5,6a]C[6]H)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	117.1000	0.000	1	117.1000	0.000	1	117.1000	0.000	1	122.5242	7.353	6	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(C[6]C[5a,6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	124.3170	0.000	1	124.3170	0.000	1	124.1965	0.029	2	122.5242	7.353	6	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(CH3)	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]N)(CH3){2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6]N[5])(C[6]C[6,6a]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	124.0760	0.000	1	124.0760	0.000	1	124.1965	0.029	2	122.5242	7.353	6	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]N[5]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5,6]C[5])(H)3	123.0025	0.049	2	123.0025	0.002	2	123.0025	0.002	2	122.5242	7.353	6	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CH3)	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,2|O<1>}	C(N[5]C[5,6]C[5])(H)3	123.6470	0.000	1	123.6470	0.000	1	123.6470	0.000	1	122.5242	7.353	6	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]HH){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	123.0540	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:3:4:1:	C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	126.7390	0.000	1	125.7945	1.784	2	125.7945	1.784	2	125.7945	1.784	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:3:4:1:	C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]O)(CC[6a]CH){3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|O<1>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	124.8500	0.000	1	125.7945	1.784	2	125.7945	1.784	2	125.7945	1.784	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH)	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[5,6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]N[5]N[6]H)(N[5]C[5]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,2|O<1>}	C(N[5]C[5,6]C[5])(CH3)(H)2	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	123.5745	0.221	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH)	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]N[5,6]C[6]H)(C[5]C[5,5]O)(CCHH){1|N<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	123.2420	0.000	1	123.2420	0.000	1	123.2420	0.000	1	123.5745	0.221	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(C[6]C[6]H)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]N[5]O)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[6a]N[5]C)(C[6]C[6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C(N[5]C[5,6]C[5])(H)3	121.1805	0.487	2	121.1805	0.237	2	121.1805	0.237	2	121.1805	0.237	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:3:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-3:C[6]-4:C[6]-3:N[5]-3:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){1|Br<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](C[5]C[6a]C[5])(C[6]C[6]HO)(C[6]C[6]H)(N[5]C[5]C){1|Br<1>,1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(CC[6a]O)(H)2	126.3940	0.000	1	126.3940	0.000	1	126.3940	0.000	1	126.3940	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:4:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	N[5,5]-3:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3)	C[5,6](N[5,5]C[5,5]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,5]C[6]2)(C[5]C[5,5]O)(CH3){1|O<2>,4|C<4>,4|H<1>}	C[5,6](N[5,5]C[5,5]O[5])(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,4|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(H)3	124.0780	0.559	2	124.0780	0.312	2	124.0780	0.312	2	124.0780	0.312	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:2:3:1:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C(N[5]C[5,6]C[5])(CH3)(H)2	122.6810	0.154	2	122.6810	0.024	2	122.6810	0.024	2	122.6810	0.024	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:2:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5a,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C(N[5]C[5,6]C[5])(H)3	119.5650	1.208	2	119.5650	1.459	2	119.5650	1.459	2	119.5650	1.459	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,6,6]N[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6,6]C[5,6a]C[6,6]C[6])(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){2|C<4>,3|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	119.4400	0.530	2	119.4400	0.281	2	119.4400	0.281	2	119.3815	2.947	4	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:N[5,6]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3)	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|N<3>}	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(H)3	117.2560	0.000	1	117.2560	0.000	1	117.2560	0.000	1	119.3815	2.947	4	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	121.3900	0.000	1	121.3900	0.000	1	121.3900	0.000	1	119.3815	2.947	4	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]O)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	120.5172	2.221	5	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:N[5,6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(H){1|N<3>,1|O<1>,2|C<2>,6|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	119.6150	0.000	1	119.6150	0.000	1	119.6150	0.000	1	120.5172	2.221	5	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	122.3550	0.000	1	122.3550	0.000	1	122.3550	0.000	1	120.5172	2.221	5	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]C)(CC[6a]HH){1|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]H)(N[5]C[5]C)(H){1|H<1>,4|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	121.9020	0.000	1	121.9020	0.000	1	121.9020	0.000	1	120.5172	2.221	5	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	119.5610	0.000	1	119.5610	0.000	1	119.5610	0.000	1	120.5172	2.221	5	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[3,5,5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH)	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[3,5,5,6]C[6]H)(C[5]C[3,5]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[3,5,5,6]C[3,5,6]C[5,6a]C[3,5])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	121.1907	1.327	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	121.1810	1.629	2	121.1810	2.654	2	121.1810	2.654	2	121.1907	1.327	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]O)(CH3)	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]2)(C[5]C[5]O)(CH3){1|O<2>,3|H<1>,4|C<3>}	C[5,6](C[5,6]C[5]C[6]2)(C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]C){1|O<1>,3|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(H)3	121.1710	0.129	2	121.1710	0.017	2	121.1710	0.017	2	122.1803	0.797	7	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:N[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]N[5,6]H)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(H)3	122.9060	0.535	2	122.9060	0.286	2	122.9060	0.286	2	122.1803	0.797	7	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[6]-3:C[6a]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(N[6]N[5a,6]H)(C[6a]C[6a]2)(N[5]C[5]C){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(H)3	122.8140	0.307	2	122.8140	0.094	2	122.8140	0.094	2	122.1803	0.797	7	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]H)2(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C(N[5]C[5,6]C[5])(H)3	121.4800	0.000	1	121.4800	0.000	1	121.4800	0.000	1	122.1803	0.797	7	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:3:	3:4:4:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCCH)	C[5,6](C[5]C[5]CH)(C[6]C[6]H)2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CH3)2(H)	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCCH){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5]C[5]CH)(C[6]C[6]H)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(N[5]C[5,6]C[5])(CH3)2(H)	119.6680	0.000	1	119.6680	0.000	1	119.6680	0.000	1	119.6680	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	118.9980	0.000	1	118.9980	0.000	1	117.2693	2.974	3	117.2693	2.974	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	116.4050	1.211	2	116.4050	1.465	2	117.2693	2.974	3	117.2693	2.974	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	120.1170	0.000	1	120.1170	0.000	1	120.1170	0.000	1	120.1170	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]N[5]H)(C[6]N[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6]C[5])(H)3	122.4225	0.172	2	122.4225	0.030	2	122.4225	0.030	2	122.4225	0.030	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-2:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CC)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5,6]C[5])(CC)(H)2	121.9233	0.134	3	121.9233	0.018	3	121.9233	0.018	3	121.9233	0.018	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|H<1>,3|C<3>,4|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6]C[5,6]C[5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,3|C<4>,7|H<1>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	122.0570	0.000	1	122.0570	0.000	1	122.0570	0.000	1	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]N)(CC[6a]HH)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	121.2025	0.005	2	121.2025	0.000	2	121.2025	0.000	2	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	122.5140	0.000	1	122.5140	0.000	1	122.6755	0.052	2	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	122.8370	0.000	1	122.8370	0.000	1	122.6755	0.052	2	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC[6a]HH){3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	123.6275	1.454	4	123.6275	2.114	4	123.6275	2.114	4	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	122.0055	0.166	2	122.0055	0.028	2	123.0721	1.577	8	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	122.9730	0.028	2	122.6647	0.263	4	123.0721	1.577	8	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	122.8080	0.000	1	122.6647	0.263	4	123.0721	1.577	8	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]HH){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	121.9050	0.000	1	122.6647	0.263	4	123.0721	1.577	8	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]H)(CC[6a]HH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,5|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	124.9535	0.450	2	124.9535	0.203	2	123.0721	1.577	8	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])2(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])2(H)2	123.1549	1.356	22	123.1549	1.838	22	123.1549	1.838	22	123.0335	1.729	39	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:3:3:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:C[6a]-3:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]3)	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC[6a]3){1|C<4>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)3	129.0400	0.000	1	129.0400	0.000	1	129.0400	0.000	1	129.0400	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:4:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CC[6a]CH)	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,6]C[5,6]2H)(C[5]O[5]O)(CC[6a]CH){1|H<1>,1|O<2>,3|C<4>}	C[5,6](C[5,6]O[5,6]C[5]C)(C[5,6]C[6]O[5]H)(N[5]C[5]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	128.0540	0.000	1	128.0540	0.000	1	128.0540	0.000	1	128.0540	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CHHO)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CCHH){1|W<7>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H){1|O<1>,3|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(CHHO)(H)2	125.1160	0.366	2	125.1160	0.134	2	125.1160	0.134	2	125.1160	0.134	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:4:4:4:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC3)	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CH3)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5]O)(CC3){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C(N[5]C[5,6]C[5])(CH3)3	125.2030	0.000	1	125.2030	0.000	1	125.2030	0.000	1	124.7973	0.673	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:4:4:4:	C[5,6]-4:C[5]-3:C-4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC3)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CH3)3	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]O)(CC3){1|N<3>,3|C<3>,3|H<1>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C(N[5]C[5,6]C[5])(CH3)3	123.8530	0.000	1	123.8530	0.000	1	123.8530	0.000	1	124.7973	0.673	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:4:4:4:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CH3)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]O)(CC3){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(N[5]C[5,6]C[5])(CH3)3	125.3360	0.000	1	125.3360	0.000	1	125.3360	0.000	1	124.7973	0.673	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:2:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[3,5,6]-4:C[6]-4:N[5]-3:O-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]O)(CC[6a]HH)	C[5,6](C[3,5,6]C[3,5]C[3,6]O)(C[6]C[6]HH)(N[5]C[5]C)(OH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[3,5,6]C[6]O)(C[5]C[3,5]O)(CC[6a]HH){1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3,6]O)(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	123.3280	0.000	1	123.3280	0.000	1	123.3280	0.000	1	122.9260	3.939	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:2:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-4:N[5]-3:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[6]2N[5])(C[5]N[5]S)(CC[6a]HH)	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(N[5]N[5])	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6]2N[5])(C[5]N[5]S)(CC[6a]HH){2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(N[5]N[5]){1|C<4>,1|S<1>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	122.9260	3.939	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:2:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5])	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CC[6a]HH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	120.7710	0.000	1	120.7710	0.000	1	120.7710	0.000	1	122.9260	3.939	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:2:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH)	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5])	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH){1|O<2>,3|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5]){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	121.2730	0.120	2	121.1737	0.037	3	121.1737	0.037	3	121.1737	0.037	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:2:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-4:N[5]-3:S[5]-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH)	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5])	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	N[5](C[5,6]C[6]2S[5])(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(N[5]C[5]C)(S[5]C[5]){1|C<4>,1|O<1>,6|H<1>}	C(N[5]C[5,6]C[5])(CN[6]HH)(H)2	120.9750	0.000	1	121.1737	0.037	3	121.1737	0.037	3	121.1737	0.037	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(CC[6a]HH)	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]N[5]S)(CC[6a]HH){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]N[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|S<1>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	122.8600	0.000	1	122.8600	0.000	1	122.8600	0.000	1	122.8600	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CCHH){2|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(CHN){1|C<3>,1|O<1>,4|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	121.8890	0.000	1	121.8890	0.000	1	121.8890	0.000	1	126.0874	10.812	5	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C[5,6](C[6]C[3,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	C[5,6](C[6]C[3,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C){1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(CC[3,5]HH)(H)2	125.7400	0.000	1	125.7400	0.000	1	127.1370	7.071	4	126.0874	10.812	5	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	C[5,6](C[6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(N[5]C[5,6]C[5])(CC[5,5]HH)(H)2	129.7570	0.000	1	129.7570	0.000	1	127.1370	7.071	4	126.0874	10.812	5	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	126.5255	3.413	2	126.5255	11.650	2	127.1370	7.071	4	126.0874	10.812	5	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:4:3:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[4]-4:C[6]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[4]C[6])(C[5]O[5]O)(CC[6a]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[4]C[6])(C[5]O[5]O)(CC[6a]HH){1|N<3>,3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[4]C[4]2H)(C[6]N[6]HH)(N[5]C[5]C){1|O<1>,4|C<4>,5|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	123.9300	0.000	1	123.9300	0.000	1	123.9300	0.000	1	124.5430	2.306	4	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:4:3:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	125.5245	1.671	2	124.7473	3.208	3	124.7473	3.208	3	124.5430	2.306	4	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:4:3:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HO)(C[6]C[6]HH)2(N[5]C[5]C){1|F<1>,1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	123.1930	0.000	1	124.7473	3.208	3	124.7473	3.208	3	124.5430	2.306	4	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]O)(CCHH){2|C<4>,8|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	129.3047	2.536	3	129.3047	6.433	3	129.3047	6.433	3	129.3047	6.433	3	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:4:2:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C-4:N[5]-2:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(CC[6a]HH)(N[5]N[5])	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H)	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6,6]H)(CC[6a]HH)(N[5]N[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[6]N[5]H)(N[5]N[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(N[5]C[5,6]N[5])(C[6a]C[6a]2)(H)2	120.4010	0.000	1	120.4010	0.000	1	120.4010	0.000	1	120.4010	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(H)3	120.5150	0.000	1	120.5150	0.000	1	120.5150	0.000	1	120.5150	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(CC3)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(CC3)(H)2	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	123.1560	0.000	1	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:4:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(CH3)2(H)	121.4295	3.440	2	121.4295	11.834	2	121.4295	11.834	2	121.4295	11.834	2	122.4829	7.259	213	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:2:4:4:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|C<2>,3|C<3>}	C[5](C[5]N[5,6a]C)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	121.0080	0.000	1	121.0080	0.000	1	121.0080	0.000	1	117.5135	24.423	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:1:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:F-1:F-1:F-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3)	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(F)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CF3){1|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6a])(N[5]C[5,6a]C)(H)2{4|C<3>}	C(N[5]C[5,6a]C[5])(F)3	114.0190	0.000	1	114.0190	0.000	1	114.0190	0.000	1	117.5135	24.423	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:1:1:	3:2:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-2:H-1:H-1:	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[6]O[5])(C[5]C[5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|C<4>}	C(N[5]C[5]2)(CC)(H)2	123.0080	0.000	1	123.0080	0.000	1	123.0080	0.000	1	123.0080	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH)	C[5](N[5]C[5,6a]C)2(H)2	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)(CN[5a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2(H)2{2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	121.2060	1.006	2	121.2060	1.011	2	121.2060	1.011	2	121.4693	0.724	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	B[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH)	C[5](B[5]C[6a]C[5])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]B[5]HH)(CC[6a]HH){4|C<3>}	C[5](B[5]C[6a]C[5])(N[5]C[5]C)(H)2{4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	121.4693	0.724	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,6]C)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5,6]C)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.3970	0.000	1	122.3970	0.000	1	122.3970	0.000	1	121.4693	0.724	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:2:4:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5a]-3:N[5]-3:S[5]-2:C-4:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH)	C[5](C[5a]N[5a]S[5a])(N[5]C[5,6a]C)(S[5]C[5,6a])(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]S[5]C)(CCHH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[5](C[5a]N[5a]S[5a])(N[5]C[5,6a]C)(S[5]C[5,6a])(CCHH){4|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	117.4460	0.000	1	117.4460	0.000	1	117.4460	0.000	1	117.4460	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	116.3150	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:1:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]HN)(CC3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,3|C<3>}	C(N[5]B[5]C[5])(CH3)3	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:2:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C[6a]-3:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,1|N<2>,4|C<3>}	C[5](C[5]C[5,6a]N)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	122.3310	0.000	1	122.3310	0.000	1	122.3310	0.000	1	122.3310	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C[6a]-3:C-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	124.6880	0.000	1	124.6880	0.000	1	124.6880	0.000	1	123.9745	1.018	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5a]-3:C[5]-3:N[5]-3:C[6a]-3:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[6a]C[5])(CCHH){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2){1|N<3>,2|H<1>,7|C<3>}	C(N[5]C[5,6a]C[5])(CNO)(H)2	123.2610	0.000	1	123.2610	0.000	1	123.2610	0.000	1	123.9745	1.018	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:4:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C[6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6a]O)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:4:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C[5a]-3:C-4:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH){1|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	122.9680	0.000	1	122.9680	0.000	1	122.9680	0.000	1	122.9680	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:4:	3:4:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C[5a]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH)	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]N[5]C)(CCHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](N[5]C[5,6a]C)2(C[5a]N[5a]2)(CCHH){1|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	120.6960	0.000	1	120.6960	0.000	1	120.6960	0.000	1	120.6960	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:4:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]O)(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>}	C[5](C[5]C[5,5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.3680	0.000	1	121.3680	0.000	1	121.3680	0.000	1	121.3680	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:4:1:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H)	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	C(N[5]B[5]C[5])(CH3)3	122.4490	0.000	1	122.4490	0.000	1	120.6350	6.581	2	120.6350	6.581	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:4:1:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H)	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]C[5,6a]C[6a])(C[5]C[5,6a]CH)(CC3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(N[5]B[5]C[5])(CH3)3	118.8210	0.000	1	118.8210	0.000	1	120.6350	6.581	2	120.6350	6.581	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:4:2:	3:4:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CO)(CCHH){1|O<1>,3|C<3>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(OH){2|C<3>}	C(N[5]C[5]2)(CH3)(H)2	121.6370	0.474	2	121.6370	0.224	2	121.6370	0.224	2	121.6370	0.224	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3)	C[5](N[5]C[5,6]C)2(CH3)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6]C)2(CH3)2{2|C<3>}	C(N[5]C[5,6]C[5])(H)3	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:4:3:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	118.9870	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	B[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C(N[5]B[5]C[5])(H)3	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	C(N[5]B[5]C[5])(H)3	117.9575	0.023	2	117.9575	0.001	2	117.4765	0.421	4	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	B[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](B[5]B[5a]N[5])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C(N[5]B[5]C[5])(H)3	N[5](B[5]B[5a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	C(N[5]B[5]C[5])(H)3	117.4060	0.000	1	117.4060	0.000	1	117.4765	0.421	4	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	B[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]B[5]C[5])(H)3	116.5850	0.000	1	116.5850	0.000	1	117.4765	0.421	4	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-3:C[5]-4:C-4:	B[5,6,6]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3)	C[5](B[5,6,6]C[6,6]2N[5,6])(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]C[6])(C[5]B[5,6,6]HH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](B[5,6,6]C[6,6]2N[5,6])(N[5]C[5,6]C)(H)2{2|C<3>,2|H<1>,4|C<4>}	C(N[5]C[5,6]C[5])(H)3	123.0010	0.000	1	123.0010	0.000	1	123.0010	0.000	1	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]2)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<3>}	C(N[5]C[5,6]C[5])(H)3	118.6700	0.000	1	118.6700	0.000	1	120.3300	5.511	2	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<2>}	C(N[5]C[5,6]C[5])(H)3	121.9900	0.000	1	121.9900	0.000	1	120.3300	5.511	2	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	118.0110	0.000	1	118.0110	0.000	1	120.3540	10.979	2	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{1|C<3>,1|N<2>}	C(N[5]C[5,6a]C[5])(H)3	122.6970	0.000	1	122.6970	0.000	1	120.3540	10.979	2	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]HH)(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	121.5600	0.000	1	121.5600	0.000	1	121.2671	0.913	10	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	121.7663	1.006	3	121.6058	0.778	4	121.2671	0.913	10	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CH3){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	C(N[5]C[5]2)(H)3	121.1240	0.000	1	121.6058	0.778	4	121.2671	0.913	10	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	121.8415	0.394	2	121.8415	0.155	2	121.2671	0.913	10	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	120.1580	1.317	2	120.3350	0.961	3	121.2671	0.913	10	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){2|C<3>,3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	120.6890	0.000	1	120.3350	0.961	3	121.2671	0.913	10	120.3656	4.135	19	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	120.5155	0.357	2	120.5155	0.128	2	121.1672	0.609	4	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|N<2>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	121.8190	0.000	2	121.8190	0.000	2	121.1672	0.609	4	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH){2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<2>}	C(N[5]C[5,5]C[5])2(H)2	123.6820	1.134	3	123.6820	1.286	3	123.6820	1.286	3	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	117.7910	0.000	1	117.6220	2.228	6	117.6220	2.228	6	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	117.5882	1.666	5	117.6220	2.228	6	117.6220	2.228	6	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(CC[6]C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(CC[6]C)(H)2	116.2910	0.000	1	116.2910	0.000	1	116.2910	0.000	1	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(H)2{1|C<4>,3|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	120.6190	0.000	1	120.6190	0.000	1	120.6190	0.000	1	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.4340	0.000	1	121.4340	0.000	1	117.3341	7.630	7	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.1780	0.214	4	115.1780	0.046	4	117.3341	7.630	7	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CC[6a]HH){2|H<1>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.5965	0.049	2	119.5965	0.002	2	117.3341	7.630	7	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,6]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5,6]CH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C(N[5]C[5]2)(CCH)(H)2	122.5170	0.000	1	122.5170	0.000	1	122.5170	0.000	1	119.2267	8.993	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:2:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	118.1270	0.003	2	118.1270	0.000	2	118.1270	0.000	2	118.1270	0.000	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:3:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]2H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)2(H)	120.4870	0.000	1	120.4870	0.000	1	120.4870	0.000	1	120.4870	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:4:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC[6a]CH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	123.8770	0.000	1	123.8770	0.000	1	124.2365	0.258	2	124.2365	0.258	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:4:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[6]N[5])(C[5]C[5]HH)(CC[6a]CH){1|C<3>,2|H<1>,2|N<2>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	124.5960	0.000	1	124.5960	0.000	1	124.2365	0.258	2	124.2365	0.258	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5,5a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2	C(N[5]C[5,5a]C[5])(CHHN)(H)2	N[5](C[5,5a]C[5a,6a]N[5,5a])(C[5]C[5]HH)(CCHH){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]N[5,5a]HH)(N[5]C[5,5a]C)(H)2{1|C<3>,1|N<2>}	C(N[5]C[5,5a]C[5])(CHHN)(H)2	122.2980	0.723	2	122.2980	0.522	2	122.2980	0.522	2	121.1569	2.500	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)(H)2	122.2110	0.000	1	122.2110	0.000	1	122.2110	0.000	1	121.1569	2.500	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5]-3:C[5]-4:C-4:	C[4,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH)	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[4,5,6]O)(C[5]C[4,5]HH)(CCHH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[4,5]C[4,5,6]C[4]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	122.7110	0.000	1	122.7110	0.000	1	122.7110	0.000	1	121.1569	2.500	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	119.3440	0.000	1	119.3440	0.000	1	119.5267	0.188	3	121.1569	2.500	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	119.6180	0.571	2	119.6180	0.326	2	119.5267	0.188	3	121.1569	2.500	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:3:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>,1|O<1>}	C(N[5]C[5]2)(CH3)(CNO)(H)	121.4290	0.000	1	122.8365	3.962	2	122.8365	3.962	2	122.8365	3.962	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:3:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CCCH){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	C(N[5]C[5]2)(CH3)(CNO)(H)	124.2440	0.000	1	122.8365	3.962	2	122.8365	3.962	2	122.8365	3.962	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	B[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C(N[5]B[5]C[5])(CH3)2(H)	N[5](B[5]B[5]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|H<1>,2|O<2>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|B<3>,1|C<4>}	C(N[5]B[5]C[5])(CH3)2(H)	119.2785	0.337	2	119.2785	0.114	2	119.2785	0.114	2	120.1815	4.646	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH){1|W<7>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5])(CH3)2(H)	121.1650	0.000	1	121.1650	0.000	1	122.2565	2.383	2	120.1815	4.646	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	N[5](C[5,6]N[5,6]O[6])(C[5]C[5]HH)(CCCH){1|C<4>,1|H<1>,2|B<4>}	C[5](C[5]N[5,6]CH)(N[5]C[5,6]C)(H)2{1|B<4>,1|O<2>}	C(N[5]C[5,6]C[5])(CHHO)(CH3)(H)	123.3480	0.000	1	123.3480	0.000	1	122.2565	2.383	2	120.1815	4.646	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CCCH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(CH3)2(H)	120.9770	0.000	1	120.9770	0.000	1	120.9770	0.000	1	120.1815	4.646	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	C(N[5]C[5]2)(CH3)2(H)	117.0420	0.000	1	117.0420	0.000	1	117.0420	0.000	1	120.1815	4.646	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]B[5]C[5])(CH3)3	115.9500	0.000	1	115.9500	0.000	1	115.9500	0.000	1	119.0563	10.666	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:4:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)3	117.5030	0.000	1	117.5030	0.000	1	117.5030	0.000	1	119.0563	10.666	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:4:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC3)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5,6]O)(C[5]C[5]HH)(CC3){2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C(N[5]C[5]2)(CH3)3	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	119.0563	10.666	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:4:	P[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>}	C(N[5]C[5]P[5])(CH3)3	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	119.0563	10.666	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:2:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]2C[5])(N[5]C[5,6a]C)(OC)(H){1|N<3>,1|O<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	122.2510	0.000	1	122.2510	0.000	1	119.7120	12.893	2	120.2073	5.784	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:2:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3)	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HO)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[3,5]N[5,5])(N[5]C[5,6a]C)(OH)(H){3|C<3>,4|C<4>}	C(N[5]C[5,6a]C[5])(H)3	117.1730	0.000	1	117.1730	0.000	1	119.7120	12.893	2	120.2073	5.784	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:2:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6]-4:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]HO)(CH3)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]HO)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|C<3>,2|C<4>,2|O<1>}	C(N[5]C[5]2)(H)3	122.0210	0.000	1	122.0210	0.000	1	122.0210	0.000	1	120.2073	5.784	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:2:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]O)(C[5]C[5]HO)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]O)(C[5]C[5]HO)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(OH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	120.2073	5.784	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:2:1:	3:4:1:1:	C[5,6a]-3:C[5]-4:C-4:	P[5]-4:N[5]-3:O-2:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH)	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H)	C(N[5]C[5,6a]C[5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HO)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[5](P[5]C[5,6a]C[3x6]2)(N[5]C[5,6a]C)(OC)(H){2|C<3>,6|C<4>}	C(N[5]C[5,6a]C[5])(CHHN)(H)2	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5,6]-4:N[5]-3:N-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3)	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]HN)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6a]C[6]2)(N[5]C[5,6a]C)(NCH)(H){1|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	114.1455	1.387	2	114.1455	1.923	2	114.1455	1.923	2	116.7908	10.891	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){1|H<1>,6|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	120.0680	0.000	1	120.0680	0.000	1	118.5543	9.158	3	116.7908	10.891	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	117.7975	3.857	2	117.7975	14.879	2	118.5543	9.158	3	116.7908	10.891	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:1:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CNO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5])(C[5]C[5]CH)(CC[6a]HH){2|H<1>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CNO)(H){2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.1870	0.000	1	121.1870	0.000	1	121.1870	0.000	1	121.1870	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:2:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3)	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]O)(CH3){1|H<1>,2|F<1>,4|C<3>}	C[5](C[5]C[5,6a]FF)(N[5]C[5,6a]C)(C[6a]C[6a]2)(OH){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	118.1270	0.000	1	118.1270	0.000	1	118.1270	0.000	1	118.1270	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:3:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|C<4>,2|H<1>,2|O<2>,4|C<3>}	C[5](C[5]C[5,6a]C[6]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2){3|C<4>,3|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5])(H)3	126.9930	0.000	1	126.9930	0.000	1	126.9930	0.000	1	123.7505	21.028	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:3:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:C[6a]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C(N[5]C[5,6a]C[5])(H)3	120.5080	0.000	1	120.5080	0.000	1	120.5080	0.000	1	123.7505	21.028	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:4:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CCHH){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	120.6680	0.000	1	120.6680	0.000	1	120.6680	0.000	1	120.6680	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	118.9190	0.000	1	118.9190	0.000	1	119.2543	0.424	3	120.5918	4.024	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(CF3)(H){2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	120.0050	0.000	1	120.0050	0.000	1	119.2543	0.424	3	120.5918	4.024	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CH3){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CCCO)(H){2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	118.8390	0.000	1	118.8390	0.000	1	119.2543	0.424	3	120.5918	4.024	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	B[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]O[5])(C[5]B[5,5]CH)(CH3)	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5])(C[5]B[5,5]CH)(CH3){2|C<3>,2|O<2>}	C[5](B[5,5]O[5]3)(N[5]C[5]C)(CCHH)(H){1|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	121.6410	0.000	1	121.6410	0.000	1	121.6410	0.000	1	120.5918	4.024	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5,6]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)(CH3)	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]O)(C[5]C[5,6]CH)(CH3){1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,6]C[5,5,6]O[6]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C(N[5]C[5]2)(H)3	123.5550	0.000	1	123.5550	0.000	1	123.5550	0.000	1	120.5918	4.024	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	121.5210	0.000	1	121.5210	0.000	1	121.5210	0.000	1	121.5210	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:1:	3:4:1:1:	C[5,6a]-3:C[5]-4:C-4:	P[5]-4:N[5]-3:P-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH)	C[5](P[5]C[5,6a]RhO)(N[5]C[5,6a]C)(PRhCC)(H)	C(N[5]C[5,6a]C[5])(CC3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]P[5]HP)(CCHH){1|Rh<6>,1|H<1>,1|O<2>,2|C<3>}	C[5](P[5]C[5,6a]RhO)(N[5]C[5,6a]C)(PRhCC)(H){2|C<3>}	C(N[5]C[5,6a]C[5])(CC3)(H)2	122.6770	0.000	1	122.6770	0.000	1	122.6770	0.000	1	122.6770	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:3:	3:3:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]HH)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CH3)(CNO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CC[6a]HH){1|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CH3)(CNO){4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.4150	0.000	1	119.4150	0.000	1	119.4150	0.000	1	119.4150	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:4:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)2{2|C<3>}	C(N[5]C[5]2)(H)3	120.0220	0.000	1	120.0220	0.000	1	120.0220	0.000	1	120.0220	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:4:	3:4:4:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]C[6])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	125.9210	0.000	1	125.9210	0.000	1	120.3813	13.651	4	120.3813	13.651	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:4:	3:4:4:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5])(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	118.5347	0.134	3	118.5347	0.018	3	120.3813	13.651	4	120.3813	13.651	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	3:4:4:	5:3:1:1:	3:4:1:1:	C[5]-3:C[5]-4:C-4:	Si[5]-5:N[5]-3:H-1:H-1:	N[5]-3:Si-4:H-1:H-1:	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH)	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(SiCCF)(H)2	N[5](C[5]C[5]O[5])(C[5]Si[5]HH)(CSiHH){1|F<1>,1|H<1>,1|N<3>,3|C<4>}	C[5](Si[5]O[5]CCF)(N[5]C[5]C)(H)2{1|C<4>}	C(N[5]C[5]2)(SiCCF)(H)2	117.7160	0.000	1	117.7160	0.000	1	117.7160	0.000	1	117.7160	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(H)3	110.9537	1.346	3	111.9284	1.883	8	111.9284	1.883	8	111.8691	1.998	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(H)3	112.7230	0.614	2	111.9284	1.883	8	111.9284	1.883	8	111.8691	1.998	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C(N[5]C[5]O[5])(H)3	112.3733	1.496	3	111.9284	1.883	8	111.9284	1.883	8	111.8691	1.998	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|B<6>,1|C<4>,2|C<3>}	C[5](N[5]B[5x3,4,9x5,6,6]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|B<5>,1|C<4>,2|C<3>,2|H<1>,4|B<6>}	C(N[5]C[5]O[5])(H)3	110.6470	0.202	4	110.6470	0.041	4	111.8013	2.454	7	111.8691	1.998	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|N<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<2>,2|H<1>,4|C<3>}	C(N[5]C[5]O[5])(H)3	113.3403	1.040	3	113.3403	1.082	3	111.8013	2.454	7	111.8691	1.998	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:2:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C(N[5]C[5]O[5])(H)3	114.0970	0.194	2	114.0970	0.038	2	114.0970	0.038	2	114.0970	0.038	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C(N[5]C[5]N[5])(H)3	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:2:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:O[5]-2:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.2070	0.000	1	123.2070	0.000	1	123.2070	0.000	1	121.2917	2.808	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:2:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:S[5]-2:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]S[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](N[5]C[5]C)(S[5]C[5])(CCCH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]S[5]CH)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(CCCH)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.3340	0.337	2	120.3340	0.113	2	120.3340	0.113	2	121.2917	2.808	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:2:4:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:O[5]-2:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	C(N[5]C[5]2)(CHHO)(CH3)2	N[5](C[5]O[5]CH)(C[5]C[5]O)(CC3){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|O<1>,2|H<1>}	C(N[5]C[5]2)(CHHO)(CH3)2	125.6867	0.908	3	125.6867	0.824	3	125.6867	0.824	3	125.6867	0.824	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	C[5](C[5,6]C[6,6a]C[5,6])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	122.7640	0.000	1	122.7640	0.000	1	122.7640	0.000	1	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	C(N[5]C[5]2)(H)3	123.5633	0.628	7	123.4559	0.752	42	123.4746	0.733	48	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	123.2354	0.895	22	123.4559	0.752	42	123.4746	0.733	48	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|N<3>}	C(N[5]C[5]2)(H)3	123.0680	0.000	1	123.4559	0.752	42	123.4746	0.733	48	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Pt<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|Pt<4>,1|N<3>}	C(N[5]C[5]2)(H)3	123.1530	0.000	1	123.4559	0.752	42	123.4746	0.733	48	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Re<6>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|Re<6>,1|N<3>}	C(N[5]C[5]2)(H)3	121.6860	0.000	1	123.4559	0.752	42	123.4746	0.733	48	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|Zn<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|Zn<4>,1|N<3>}	C(N[5]C[5]2)(H)3	124.1121	0.558	10	123.4559	0.752	42	123.4746	0.733	48	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	123.9710	0.000	1	123.2940	0.284	4	123.4746	0.733	48	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	123.0683	0.347	3	123.2940	0.284	4	123.4746	0.733	48	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]N[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|S<2>}	C(N[5]C[5]2)(H)3	125.0940	0.000	1	125.0940	0.000	1	123.4746	0.733	48	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]O[5]O)(CH3){1|C<3>}	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(H)3	123.3600	0.000	1	123.3600	0.000	1	123.4746	0.733	48	123.4601	0.728	49	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|N<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.2450	0.000	1	122.5587	0.611	12	122.5587	0.611	12	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.4840	0.798	9	122.5587	0.611	12	122.5587	0.611	12	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|O<2>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.5515	1.049	2	122.5587	0.611	12	122.5587	0.611	12	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:F-1:F-1:	N[5]-3:C-3:Br-1:Br-1:	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(F)2	C(N[5]C[5]2)(COO)(Br)2	N[5](C[5]C[5,6a]FF)(C[5]C[5,6a]O)(CBr2C){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(F)2{1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(COO)(Br)2	127.4850	0.000	1	127.4850	0.000	1	127.4850	0.000	1	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]N)(CC[6]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	120.9595	1.050	2	120.9595	1.103	2	121.4727	1.341	3	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	122.4990	0.000	1	122.4990	0.000	1	121.4727	1.341	3	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.5475	1.719	2	122.5475	2.955	2	122.5475	2.955	2	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.1670	0.000	1	122.1670	0.000	1	123.0679	0.742	13	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.2460	0.000	1	122.2460	0.000	1	123.0679	0.742	13	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.7300	0.000	1	123.7300	0.000	1	123.0679	0.742	13	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<3>}	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.9055	0.503	2	122.9055	0.253	2	123.0679	0.742	13	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	C[5](C[5]O[5]C)(N[5]C[5]C)(H)2{1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.2411	0.959	8	123.2411	0.920	8	123.0679	0.742	13	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCI)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){1|H<1>}	C[5](C[5]O[5]H)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CCI)(H)2	122.3400	0.000	2	122.3400	0.000	2	122.3400	0.000	2	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]HH)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]HH){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C(N[5]C[5]2)2(H)2	124.7952	0.311	4	124.7952	0.097	4	124.7952	0.097	4	123.0121	1.812	37	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	124.5390	0.823	3	124.5390	0.678	3	124.6285	0.484	4	124.6285	0.484	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[6a]CH){1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	124.8970	0.000	1	124.8970	0.000	1	124.6285	0.484	4	124.6285	0.484	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5a]CH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5a]N[5a]2)(N[5]C[5]2)(CC3)(H)	125.0160	0.000	1	125.0160	0.000	1	125.0160	0.000	1	125.6580	0.670	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)2(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CN[5]CH){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C(N[5]C[5]2)2(CH3)(H)	125.9790	0.850	2	125.9790	0.722	2	125.9790	0.722	2	125.6580	0.670	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCHH){1|C<3>,1|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	122.2110	0.000	1	122.2110	0.000	1	122.2110	0.000	1	123.9105	5.777	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(H)2{1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	125.6100	0.000	1	125.6100	0.000	1	125.6100	0.000	1	123.9105	5.777	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CCCH)(COO)(H)	122.4835	0.363	2	122.4835	0.132	2	123.5286	0.881	12	123.5247	0.808	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHO)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CCHO)(COO)(H)	125.0715	0.002	2	125.0715	0.000	2	123.5286	0.881	12	123.5247	0.808	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	123.4559	0.625	7	123.4559	0.391	7	123.5286	0.881	12	123.5247	0.808	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(COO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CH3)(COO)(H)	123.0420	0.000	1	123.0420	0.000	1	123.5286	0.881	12	123.5247	0.808	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH)	C[5](N[5]C[5]C)2(H)2	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	N[5](C[5]N[5]HH)(C[5]C[5]O)(CCCH){1|H<1>,2|C<4>}	C[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	123.5247	0.808	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(CHHO)(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CCHH)(CHHO)(H)	122.8230	0.000	1	122.8230	0.000	1	123.3310	0.516	2	123.4172	0.427	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CCCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	123.8390	0.000	1	123.8390	0.000	1	123.3310	0.516	2	123.4172	0.427	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(N[5]C[5]2)(CH3)2(H)	123.8240	0.286	5	123.8240	0.082	5	123.8240	0.082	5	123.4172	0.427	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:Cl-1:Cl-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CCCH)	C[5](N[5]C[5]C)2(Cl)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CCCH){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)2(Cl)2{2|O<1>}	C(N[5]C[5]2)(CH3)2(H)	122.4865	0.023	2	122.4865	0.001	2	122.4865	0.001	2	123.4172	0.427	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CC3)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5,5]HH)(C[5]C[5,5]H)(CC3){1|B<4>,1|C<3>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	121.2730	0.187	2	121.2730	0.035	2	121.2730	0.035	2	123.5737	7.135	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CH3)3	121.7055	1.329	2	121.7055	1.765	2	121.7055	1.765	2	123.5737	7.135	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]C[6])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]C[5]H)(CC3){1|C<4>,1|H<1>}	C[5](C[5]C[5]C[6])(N[5]C[5]C)(H)2{2|C<4>,3|H<1>}	C(N[5]C[5]2)(CH3)3	123.0130	0.000	1	123.0130	0.000	1	123.4125	0.319	2	123.5737	7.135	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(N[5]C[5]2)(CH3)3	123.8120	0.000	1	123.8120	0.000	1	123.4125	0.319	2	123.5737	7.135	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:Cl-1:Cl-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CC3)	C[5](N[5]C[5]C)2(Cl)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]N[5]Cl2)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)2(Cl)2{2|O<1>}	C(N[5]C[5]2)(CH3)3	127.8945	0.025	2	127.8945	0.001	2	127.8945	0.001	2	123.5737	7.135	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]N[5]HH)(C[5]C[5]O)(CC3)	C[5](N[5]C[5]C)2(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]N[5]HH)(C[5]C[5]O)(CC3){1|H<1>,2|C<4>}	C[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(CH3)3	123.5920	0.000	1	123.5920	0.000	1	123.5920	0.000	1	123.5737	7.135	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]HH)(C[5]C[5,5a]O)(CC[6]HH){1|C<3>,1|N<2>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:1:1:	4:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(C[5]C[5]S[5]H)(N[5]C[5]2)2(H)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(CC[5]N[5]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,2|C<3>}	C(C[5]C[5]S[5]H)(N[5]C[5]2)2(H)	122.9050	4.226	2	122.9050	17.856	2	122.9050	17.856	2	122.9050	17.856	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-3:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3){1|C<3>,1|C<4>}	C[5](C[5,6]C[5,6]2)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	122.8810	0.000	1	122.8810	0.000	1	122.8810	0.000	1	122.3800	0.432	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<3>}	C[5](C[5]C[5a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|C<3>,1|O<1>,1|S<2>}	C(N[5]C[5]2)(H)3	121.6360	0.000	1	121.6360	0.000	1	122.1295	0.487	2	122.3800	0.432	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HO)(C[5]C[5]O)(CH3){1|Cl<1>,1|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]C)(OC)(H){1|Cl<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	122.6230	0.000	1	122.6230	0.000	1	122.1295	0.487	2	122.3800	0.432	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.2140	1.218	3	120.2140	1.482	3	120.4745	1.260	4	120.7002	2.430	17	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.2560	0.000	1	121.2560	0.000	1	120.4745	1.260	4	120.7002	2.430	17	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]O)(N[5]C[5]C)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|H<1>,1|O<2>}	C[5](C[5]C[5]O)(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.9100	0.139	2	122.9100	0.019	2	122.4538	0.181	6	120.7002	2.430	17	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|Br<1>,1|S<2>}	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H){1|Br<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.3200	0.000	1	122.2258	0.087	4	122.4538	0.181	6	120.7002	2.430	17	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:O-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|S<2>}	C[5](C[5]C[5]S)(N[5]C[5]C)(OH)(H){1|Cl<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.1943	0.353	3	122.2258	0.087	4	122.4538	0.181	6	120.7002	2.430	17	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.3290	0.000	1	119.3261	0.387	7	119.3261	0.387	7	120.7002	2.430	17	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.4200	0.000	1	119.3261	0.387	7	119.3261	0.387	7	120.7002	2.430	17	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.1068	0.470	5	119.3261	0.387	7	119.3261	0.387	7	120.7002	2.430	17	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H)	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[6a]N[5])(CCCH){4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]N[5])(H){2|H<1>,3|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(COO)(H)	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	119.0750	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:2:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H)	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(CC[5,5,6]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[5,5,6]C[5,6]2O[5,5])(N[5]C[5]2)(H)2	122.4890	0.670	2	122.4890	0.449	2	122.4890	0.449	2	122.4890	0.449	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]N[5]H)(C[5]C[5]C)(CH3)	C[5](C[5]C[5,6a]C[5])(N[5]C[5]C)2(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5]H)(C[5]C[5]C)(CH3){2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5]C)2(H){1|H<1>,2|C<4>,3|C<3>}	C(N[5]C[5]2)(H)3	111.7495	1.316	2	111.7495	1.732	2	111.7495	1.732	2	119.4144	27.942	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	122.6737	0.473	4	122.6737	0.223	4	122.4804	0.355	5	119.4144	27.942	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]H)(C[5]N[5]O)(CH3){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]N[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	121.7070	0.000	1	121.7070	0.000	1	122.4804	0.355	5	119.4144	27.942	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H)	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC[6a]HH){1|N<3>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5])(N[5]B[5]C)(H){1|B<4>,1|C<4>,1|H<1>,5|C<3>}	C(N[5]B[5]C[5])(C[6a]C[6a]2)(H)2	119.0180	0.000	1	119.0180	0.000	1	119.0180	0.000	1	121.7310	1.645	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5a]-3:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]C[5a]H)(C[5]C[5,6a]O)(CCHH){1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[5]C[5]2)(CCH)(H)2	121.3880	0.000	1	121.3880	0.000	1	121.3880	0.000	1	121.7310	1.645	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|O<1>,3|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.2550	0.000	1	122.5300	0.057	3	122.5300	0.057	3	121.7310	1.645	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.6675	0.009	2	122.5300	0.057	3	122.5300	0.057	3	121.7310	1.645	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:N-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HN)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(NCH)(H){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.8240	0.000	1	121.8240	0.000	1	121.8240	0.000	1	121.7310	1.645	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.6110	0.000	1	121.6110	0.000	1	121.8725	1.737	4	121.7310	1.645	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.8805	0.180	2	122.8805	0.033	2	121.8725	1.737	4	121.7310	1.645	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]S[5]N)(CC[6a]HH){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]S[5]C)(N[5]C[5]C)(H){1|N<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.1180	0.000	1	120.1180	0.000	1	121.8725	1.737	4	121.7310	1.645	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C[6]H)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2)(N[5]C[5]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C(N[5]C[5]2)(CCHH)(H)2	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	122.6522	3.164	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){3|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	124.7280	0.000	1	124.7280	0.000	1	124.7280	0.000	1	122.6522	3.164	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	122.6522	3.164	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:S[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]O)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]O)(CCHH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5]O)(H){1|O<1>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	120.4270	0.000	1	120.4270	0.000	1	120.4270	0.000	1	122.6522	3.164	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:4:4:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	C(N[5]B[5]C[5])(CH3)3	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	C(N[5]B[5]C[5])(CH3)3	121.0930	0.000	1	120.8985	0.076	2	120.8985	0.076	2	122.9126	3.560	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:4:4:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H)	C(N[5]B[5]C[5])(CH3)3	N[5](C[5]C[5,6a]HN)(B[5]C[5,6a]N)(CC3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C)(NC[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	C(N[5]B[5]C[5])(CH3)3	120.7040	0.000	1	120.8985	0.076	2	120.8985	0.076	2	122.9126	3.560	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CH3)3	126.1750	0.000	1	126.1750	0.000	1	126.1750	0.000	1	122.9126	3.560	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:N-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3)	C[5](N[5]C[5]C)2(NHH)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]N[5]HN)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)2(NHH)(H){2|O<1>}	C(N[5]C[5]2)(CH3)3	123.1040	0.891	4	123.1040	0.795	4	123.1040	0.795	4	122.9126	3.560	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|Br<1>,1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.1060	0.000	1	122.2840	0.095	4	122.2840	0.095	4	122.2552	0.062	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.3650	0.491	2	122.2840	0.095	4	122.2840	0.095	4	122.2552	0.062	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CC[6a]HH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.3000	0.000	1	122.2840	0.095	4	122.2840	0.095	4	122.2552	0.062	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,3|H<1>,4|C<3>}	C(N[5]C[5]2)(COO)(H)2	122.1150	0.000	1	122.1150	0.000	1	122.1150	0.000	1	122.2552	0.062	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]O)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(OH){1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.2800	0.000	1	122.2800	0.000	1	122.2800	0.000	1	122.2552	0.062	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:2:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5a]-3:N[5]-3:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(N[5]C[5]C)(OH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C[5a]O)(C[5]C[5,6a]O)(CCHH){1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]O[5a])(N[5]C[5]C)(OH){1|Cl<1>,1|H<1>,1|O<1>,4|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	121.9230	0.000	1	121.9230	0.000	1	121.9230	0.000	1	122.1625	0.115	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:2:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-3:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]O)(OH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]O)(OH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	122.1625	0.115	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:2:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:O-2:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C(N[5]C[5]2)(CH3)(CNO)(H)	N[5](C[5]C[5,6a]C[6a]O)(C[5]C[5,6a]O)(CCCH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C(N[5]C[5]2)(CH3)(CNO)(H)	126.9180	0.000	1	126.9180	0.000	1	126.9180	0.000	1	126.9180	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:2:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-3:O-2:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CNO)(OH)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]N)(CC3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CNO)(OH){1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5]2)(CH3)3	124.0615	0.153	2	124.0615	0.024	2	124.0615	0.024	2	124.0615	0.024	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:3:	3:2:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[6a]-3:C[5]-3:N[5]-3:	N[5]-3:C-2:H-1:H-1:	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(CCHH)	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[6a]2C[5])(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C(N[5]C[5]2)(CC)(H)2	124.7670	0.000	1	124.7670	0.000	1	124.7670	0.000	1	124.7670	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5a]-3:N[5]-3:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5a]C)(C[5]C[5,6a]O)(CC[6a]HH){1|S<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5a]C[5a]S[5a])(N[5]C[5]C)(CCN){1|O<1>,2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.5000	0.000	1	122.5000	0.000	1	122.5000	0.000	1	122.9085	0.334	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCH){1|O<1>,3|H<1>,4|C<3>}	C(N[5]C[5]2)(CCH)(H)2	123.3170	0.000	1	123.3170	0.000	1	123.3170	0.000	1	122.9085	0.334	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:3:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-3:N[5]-3:C-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(N[5]C[5]C)(CNO)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5,6a]O)(CCHH){1|N<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5])(N[5]C[5]C)(CNO){1|O<1>,2|H<1>,4|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	122.6100	0.000	1	122.6100	0.000	1	122.6100	0.000	1	122.6100	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C[6a]C)(C[5]C[5,6a]O)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]C)(CCCH){1|O<1>,3|H<1>,4|C<3>}	C(N[5]C[5]2)(H)3	123.4475	1.249	2	123.4475	1.561	2	123.4475	1.561	2	123.5745	2.599	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(N[5]C[5]2)(H)3	123.2890	0.000	1	123.2893	0.564	7	124.0796	2.011	10	123.5745	2.599	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	123.2893	0.823	6	123.2893	0.564	7	124.0796	2.011	10	123.5745	2.599	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCCH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	125.9237	0.269	3	125.9237	0.072	3	124.0796	2.011	10	123.5745	2.599	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	121.1760	0.188	2	121.1760	0.035	2	121.1760	0.035	2	123.5745	2.599	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:4:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.0310	0.000	1	123.8663	0.092	8	123.8663	0.092	8	123.8663	0.092	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:4:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(CCHH){1|O<1>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.8427	0.320	7	123.8663	0.092	8	123.8663	0.092	8	123.8663	0.092	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]C)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	121.3060	0.000	1	121.3060	0.000	1	123.1223	2.627	4	123.9084	1.090	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>}	C(N[5]C[5]2)(H)3	122.2230	0.000	1	122.2230	0.000	1	123.1223	2.627	4	123.9084	1.090	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHO)(H){1|C<3>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	124.6880	0.000	1	124.6880	0.000	1	123.1223	2.627	4	123.9084	1.090	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){1|O<1>}	C(N[5]C[5]2)(H)3	124.2720	0.000	1	124.2720	0.000	1	123.1223	2.627	4	123.9084	1.090	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]C)2(CC3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	124.2469	0.514	7	124.2578	0.204	9	124.2578	0.204	9	123.9084	1.090	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]C)2(CC3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>}	C[5](N[5]C[5]C)2(CC3)(H){1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	124.1540	0.000	1	124.2578	0.204	9	124.2578	0.204	9	123.9084	1.090	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]C)2(CC3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CH3){1|H<1>,2|C<3>}	C[5](N[5]C[5]C)2(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	124.4380	0.000	1	124.2578	0.204	9	124.2578	0.204	9	123.9084	1.090	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:O-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(O)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(O){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CNO)(H)2	123.5310	0.000	1	123.5310	0.000	1	123.5310	0.000	1	122.3890	1.797	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.4550	0.000	1	120.4550	0.000	1	122.0083	1.827	3	122.3890	1.797	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.9150	0.000	1	122.9150	0.000	1	122.0083	1.827	3	122.3890	1.797	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.6550	0.000	1	122.6550	0.000	1	122.0083	1.827	3	122.3890	1.797	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|H<1>,1|O<2>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CCHH)(H){1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	119.5600	0.000	1	119.5600	0.000	1	119.4500	0.024	2	119.4500	0.024	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,1|O<2>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	119.3400	0.000	1	119.3400	0.000	1	119.4500	0.024	2	119.4500	0.024	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6,6a])(N[5]C[5]C)(CH3)(H){1|O<1>,1|O<2>,2|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	121.5760	0.000	1	121.5760	0.000	1	123.4688	2.619	4	123.7220	2.285	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	124.0997	1.241	3	124.0997	1.540	3	123.4688	2.619	4	123.7220	2.285	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(CCHH){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)(H)2	124.7350	0.000	1	124.7350	0.000	1	124.7350	0.000	1	123.7220	2.285	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]N[5]CH)(C[5]C[5]O)(CC3)	C[5](N[5]C[5]C)2(CC[6a]HH)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]N[5]CH)(C[5]C[5]O)(CC3){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)2(CC[6a]HH)(H){2|O<1>}	C(N[5]C[5]2)(CH3)3	124.8593	1.240	4	124.8593	1.537	4	124.8593	1.537	4	124.8593	1.537	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	122.3075	0.125	2	122.3075	0.016	2	122.3075	0.016	2	121.7730	0.287	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CO)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CO)(C[5]C[5]C)(CH3){1|C<2>,1|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OC){1|C<2>,1|C<3>}	C(N[5]C[5]2)(H)3	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	121.7730	0.287	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CO)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]C)2(CC[6a]HH)(OH)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CO)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	121.5820	0.122	2	121.5820	0.015	2	121.5820	0.015	2	121.7730	0.287	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.4495	0.145	2	124.4495	0.021	2	123.7930	1.303	3	123.6170	0.709	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CH3)(OH){1|H<1>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.4800	0.000	1	122.4800	0.000	1	123.7930	1.303	3	123.6170	0.709	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:O-2:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CNO)(H)2	124.1590	0.000	1	124.1590	0.000	1	123.8450	0.352	3	123.6170	0.709	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:O-2:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHN)(OH)	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CHHN)(OH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CNO)(H)2	123.6880	0.745	2	123.6880	0.555	2	123.8450	0.352	3	123.6170	0.709	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.5900	0.000	1	123.5900	0.000	1	123.0110	0.670	2	123.6170	0.709	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.4320	0.000	1	122.4320	0.000	1	123.0110	0.670	2	123.6170	0.709	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CCHH)(OH){1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	123.5920	0.000	1	123.5920	0.000	1	123.5665	0.001	2	123.5307	0.031	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:N[5]-3:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]O)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(OH){1|Cl<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	123.5410	0.000	1	123.5410	0.000	1	123.5665	0.001	2	123.5307	0.031	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:2:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CO)(C[5]N[5]S)(CCHH){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(OH){1|C<4>,1|S<1>}	C(N[5]C[5]2)(CCHH)(H)2	123.4950	0.293	2	123.4950	0.086	2	123.4950	0.086	2	123.5307	0.031	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:3:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)(COO)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CC[6a]HH)(COO){2|C<3>}	C(N[5]C[5]2)(H)3	117.8680	0.000	1	117.8680	0.000	1	120.6240	15.191	2	121.1007	3.338	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:3:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(CNO)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(CNO){1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	123.3800	0.000	1	123.3800	0.000	1	120.6240	15.191	2	121.1007	3.338	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:3:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CC)(C[5]N[5]C)(CH3)	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(CCHH)(COO)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]N[5]C)(CH3){1|C<3>}	C[5](N[5]C[6a]N[5])(N[5]C[5]C)(CCHH)(COO){3|C<3>}	C(N[5]C[5]2)(H)3	121.3390	0.523	4	121.3390	0.273	4	121.3390	0.273	4	121.1007	3.338	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]O)(N[5]C[5]C)(CH3)(CNO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]C)(CC[6a]HH){1|C<3>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CH3)(CNO){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.7250	0.000	1	120.7250	0.000	1	122.5162	1.430	4	122.5162	1.430	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]O)(N[5]C[5]C)(CHHO)(COO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C[5](C[5]C[5]O)(N[5]C[5]C)(CHHO)(COO){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.1133	0.081	3	123.1133	0.006	3	122.5162	1.430	4	122.5162	1.430	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]S)(CH3){1|H<1>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|H<1>,1|S<1>}	C(N[5]C[5]2)(H)3	122.6470	0.117	2	122.6470	0.014	2	122.6470	0.014	2	123.3965	2.363	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	122.8140	0.000	1	124.4382	2.226	4	123.6463	3.006	6	123.3965	2.363	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|O<1>}	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|C<3>,1|O<1>}	C(N[5]C[5]2)(H)3	124.9460	0.000	1	124.4382	2.226	4	123.6463	3.006	6	123.3965	2.363	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|H<1>,1|O<1>}	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	123.7400	0.000	1	124.4382	2.226	4	123.6463	3.006	6	123.3965	2.363	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|O<2>,2|H<1>}	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|O<1>,2|H<1>}	C(N[5]C[5]2)(H)3	126.2530	0.000	1	124.4382	2.226	4	123.6463	3.006	6	123.3965	2.363	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]C)2(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]C)2(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	121.4190	0.000	1	121.4190	0.000	1	123.6463	3.006	6	123.3965	2.363	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|H<1>,2|C<4>}	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	122.7060	0.000	1	122.7060	0.000	1	123.6463	3.006	6	123.3965	2.363	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:4:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]O[5]C)(N[5]C[5]C)(CH3)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CC[6a]HH){1|C<3>}	C[5](C[5]O[5]C)(N[5]C[5]C)(CH3)2{1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.4630	0.000	1	124.4630	0.000	1	124.4630	0.000	1	124.4630	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]C)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CCHH){1|C<3>}	C[5](C[5]O[5]C)(N[5]C[5]C)(CH3)2{1|O<1>}	C(N[5]C[5]2)(CCHH)(H)2	124.6590	0.000	1	124.6590	0.000	1	124.6590	0.000	1	123.3360	3.501	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	N[5,5,6]-3:N[5]-3:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]N[5,5,6]CC)(C[5]C[5,5,6]O)(CCHH)	C[5](N[5,5,6]C[5,5,6]2)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]N[5,5,6]CC)(C[5]C[5,5,6]O)(CCHH){1|H<1>,2|C<4>}	C[5](N[5,5,6]C[5,5,6]2)(N[5]C[5]C)(CH3)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	122.0130	0.000	1	122.0130	0.000	1	122.0130	0.000	1	123.3360	3.501	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<3>,1|N<2>,4|H<1>}	C[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	122.5080	0.000	1	122.5080	0.000	1	120.7798	3.084	12	120.6666	2.994	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	120.9055	0.685	4	120.9055	0.470	4	120.7798	3.084	12	120.6666	2.994	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	121.9700	0.413	2	121.6117	0.470	3	120.7798	3.084	12	120.6666	2.994	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	120.8950	0.000	1	121.6117	0.470	3	120.7798	3.084	12	120.6666	2.994	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Pd)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Pd)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	121.1925	3.253	2	121.1925	10.585	2	120.7798	3.084	12	120.6666	2.994	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Ru)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]Ru)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|Ru<5>,1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	118.0040	0.342	2	118.0040	0.117	2	120.7798	3.084	12	120.6666	2.994	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:P[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]P[5]H)(C[5]N[5]N)(CH3)	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]P[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|W<6>,2|C<3>}	C[5](C[6a]C[6a]2)(P[5]N[5]CW)(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	120.6666	2.994	13	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5a]C[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.6435	0.276	2	122.6435	0.076	2	122.7050	0.050	3	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]O[5]O)(CC[6a]HH){1|N<2>,1|N<3>,2|H<1>}	C[5](C[5a]N[5a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.8280	0.000	1	122.8280	0.000	1	122.7050	0.050	3	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.2440	0.386	2	121.2440	0.149	2	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.3040	0.000	1	121.3040	0.000	1	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.4350	0.000	1	121.6083	0.114	3	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|S<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.6950	0.429	2	121.6083	0.114	3	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.1765	0.011	2	121.4881	0.311	11	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.8397	0.395	4	121.4881	0.311	11	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.5740	0.000	1	121.4881	0.311	11	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.6130	0.000	1	121.4881	0.311	11	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.6040	0.000	1	121.4881	0.311	11	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.9330	1.141	2	121.4881	0.311	11	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]HH){1|O<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.4755	0.165	2	122.4755	0.027	2	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.3940	0.000	1	123.3940	0.000	1	121.6666	0.456	20	121.8020	0.526	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){1|C<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	123.7970	0.000	1	123.7970	0.000	1	120.6130	20.276	2	120.6130	20.276	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC[6a]CH){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	117.4290	0.000	1	117.4290	0.000	1	120.6130	20.276	2	120.6130	20.276	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(CCHH){1|H<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]O[5]H)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	123.6950	0.000	1	123.6950	0.000	1	123.6950	0.000	1	122.1601	0.923	12	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	121.5900	0.774	2	121.5900	0.598	2	122.0205	0.759	11	122.1601	0.923	12	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(CH3)(H)2	121.1220	0.000	1	121.1220	0.000	1	122.0205	0.759	11	122.1601	0.923	12	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CBrHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(CBrHH)(H)2	121.7490	0.000	1	121.7490	0.000	1	122.0205	0.759	11	122.1601	0.923	12	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	122.8640	0.000	1	122.8640	0.000	1	122.0205	0.759	11	122.1601	0.923	12	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	122.9880	0.000	1	121.8966	0.421	5	122.0205	0.759	11	122.1601	0.923	12	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCHH){1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	121.6238	0.254	4	121.8966	0.421	5	122.0205	0.759	11	122.1601	0.923	12	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	123.8280	0.000	1	123.8280	0.000	1	122.0205	0.759	11	122.1601	0.923	12	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N)(CCCH){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|N<3>,2|H<1>,4|C<3>}	C(N[5]C[5]2)(CH3)2(H)	123.0795	0.699	6	123.0795	0.489	6	122.4818	2.102	9	122.4818	2.102	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){1|C<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(CC[6a]HO)(CH3)(H)	120.1060	0.000	1	120.1060	0.000	1	122.4818	2.102	9	122.4818	2.102	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CCCH){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(CH3)2(H)	121.8765	2.419	2	121.8765	5.852	2	122.4818	2.102	9	122.4818	2.102	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:4:4:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	C(N[5]B[5]C[5])(CH3)3	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	C(N[5]B[5]C[5])(CH3)3	121.4170	0.209	3	121.4170	0.044	3	121.4170	0.044	3	122.8330	1.785	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<1>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(CH3)3	123.8950	0.179	4	123.8950	0.032	4	123.8950	0.032	4	122.8330	1.785	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[6]-4:N[5]-3:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]O)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2O)(N[5]C[5]C)(OH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]C[6]O)(C[5]C[5,6a]O)(CH3){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2O)(N[5]C[5]C)(OH){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C(N[5]C[5]2)(H)3	123.8370	0.257	2	123.8370	0.066	2	123.8370	0.066	2	123.8370	0.066	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5a]-3:C[5]-4:N[5]-3:C-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]C)(CN)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]HH)(N[5]C[5]C)(CN){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.3840	0.000	1	124.3840	0.000	1	124.3840	0.000	1	124.3840	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:2:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(N[5]C[5]C)(OH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH){1|N<2>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]C)(N[5]C[5]C)(OH){1|Cl<1>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	123.6830	0.000	1	123.6830	0.000	1	122.6437	0.882	3	122.6437	0.882	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:2:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:N[5]-3:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(CCHH){2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]2)(N[5]C[5]C)(OH){1|Cl<1>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	122.1240	0.379	2	122.1240	0.144	2	122.6437	0.882	3	122.6437	0.882	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.4900	0.000	1	123.4900	0.000	1	123.4900	0.000	1	123.4900	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:3:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:C-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CCHH){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){1|C<3>,1|N<2>,1|O<1>,3|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	124.4950	0.000	1	124.4950	0.000	1	124.4950	0.000	1	124.4950	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:N[5]-4:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]HH)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:4:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(CC[6a]HH){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CHHN){1|O<1>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	122.3630	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:B[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(B[5]N[5]C)(CH3)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C(N[5]B[5]C[5])(H)3	N[5](C[5]C[5]HH)(B[5]N[5]C)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]B[5]C[5])(H)3	118.2325	0.053	2	118.2325	0.003	2	117.7445	0.526	4	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:B[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(B[5]N[5]Pt)(CH3)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C(N[5]B[5]C[5])(H)3	N[5](C[5]C[5]HH)(B[5]N[5]Pt)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|Pt<4>,1|C<4>}	C(N[5]B[5]C[5])(H)3	117.2565	0.788	2	117.2565	0.622	2	117.7445	0.526	4	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CH3)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]HH)(C[5]C[3,5]O)(CH3){1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|H<1>}	C(N[5]C[5]2)(H)3	121.2670	0.000	1	121.2670	0.000	1	121.2670	0.000	1	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5,5]O)(CH3){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C(N[5]C[5]2)(H)3	121.0800	0.119	2	121.0800	0.014	2	121.3707	0.261	3	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C(N[5]C[5]2)(H)3	121.9520	0.000	1	121.9520	0.000	1	121.3707	0.261	3	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3){3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	121.0920	0.000	1	121.0920	0.000	1	121.0920	0.000	1	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]C)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	117.3635	0.500	2	117.3635	0.250	2	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]N)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]N)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,2|H<1>}	C(N[5]C[5]2)(H)3	120.0820	0.000	1	120.0820	0.000	1	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(N[5]C[5]2)(H)3	120.0160	0.000	1	120.0160	0.000	1	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	121.3960	0.000	1	121.3842	3.560	104	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	122.5105	0.380	2	121.3842	3.560	104	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<4>}	C(N[5]C[5]2)(H)3	120.3035	0.284	2	121.3842	3.560	104	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(H)3	121.3920	2.034	87	121.3842	3.560	104	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	121.3189	0.729	12	121.3842	3.560	104	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]Pd)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]Pd)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	C(N[5]C[5]2)(H)3	120.2880	0.000	1	120.2880	0.000	1	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]S)(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|S<1>}	C(N[5]C[5]2)(H)3	118.7740	0.000	1	118.7740	0.000	1	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]Se)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|Se<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	120.2500	1.110	2	120.2500	1.232	2	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Al)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Al<4>,1|C<4>}	C(N[5]C[5]2)(H)3	118.7425	1.084	2	118.7425	1.175	2	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]C)(CH3){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	121.9625	0.681	2	121.9625	0.464	2	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Cl)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Cl<1>,1|C<4>}	C(N[5]C[5]2)(H)3	123.8830	0.000	1	123.8830	0.000	1	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<6>,1|C<4>}	C(N[5]C[5]2)(H)3	120.5645	0.567	4	120.5645	0.322	4	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>}	C(N[5]C[5]2)(H)3	119.2050	0.000	1	118.5075	6.923	55	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>}	C(N[5]C[5]2)(H)3	121.1100	0.000	1	118.5075	6.923	55	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	C(N[5]C[5]2)(H)3	118.3219	2.527	20	118.5075	6.923	55	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	118.5199	2.765	33	118.5075	6.923	55	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<4>,1|C<4>}	C(N[5]C[5]2)(H)3	120.2475	0.623	4	120.2475	0.389	4	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	121.9840	0.000	1	121.9840	0.000	1	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	122.3376	4.226	5	122.1290	8.119	10	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>}	C(N[5]C[5]2)(H)3	121.7805	0.518	4	122.1290	8.119	10	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	122.4800	0.000	1	122.1290	8.119	10	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<2>}	C(N[5]C[5]2)(H)3	118.6235	0.809	4	118.3752	1.267	43	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<3>}	C(N[5]C[5]2)(H)3	119.4171	0.975	12	118.3752	1.267	43	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<4>}	C(N[5]C[5]2)(H)3	118.3889	0.917	14	118.3752	1.267	43	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]P)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|P<6>}	C(N[5]C[5]2)(H)3	117.3225	0.427	13	118.3752	1.267	43	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(H)3	120.2332	0.359	4	120.2332	0.129	4	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<4>,1|C<4>}	C(N[5]C[5]2)(H)3	119.8807	0.543	12	119.9869	0.333	14	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<6>,1|C<4>}	C(N[5]C[5]2)(H)3	120.6240	0.376	2	119.9869	0.333	14	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CH3){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	C(N[5]C[5]2)(H)3	119.3607	1.698	3	119.3607	2.884	3	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|S<1>}	C(N[5]C[5]2)(H)3	119.9920	0.762	2	120.8872	0.827	5	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]S)(CH3){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<2>}	C(N[5]C[5]2)(H)3	121.4840	0.167	3	120.8872	0.827	5	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Se)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Se<2>,1|C<4>}	C(N[5]C[5]2)(H)3	122.1860	1.363	2	122.1860	1.859	2	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]Si)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Si<5>,1|C<4>}	C(N[5]C[5]2)(H)3	119.5360	0.260	2	119.5360	0.068	2	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]H)(CH3)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]O[5]H)(CH3){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|H<1>}	C(N[5]C[5]2)(H)3	122.4550	0.000	1	122.4550	0.000	1	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	C(N[5]C[5]2)(H)3	119.8375	1.692	2	118.9668	2.045	6	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]S[5]S)(CH3){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<2>}	C(N[5]C[5]2)(H)3	118.5315	1.302	4	118.9668	2.045	6	120.0781	5.377	271	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3)	C[5](Si[5]O[5]CC)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3){2|C<4>}	C[5](Si[5]O[5]CC)(N[5]C[5]C)(H)2{1|C<4>}	C(N[5]C[5]2)(H)3	118.1670	0.000	1	118.1670	0.000	1	119.3340	1.026	3	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	Si[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3)	C[5](Si[5]O[5]Si2)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]Si[5]HH)(C[5]O[5]C)(CH3){2|Si<4>}	C[5](Si[5]O[5]Si2)(N[5]C[5]C)(H)2{1|C<4>}	C(N[5]C[5]2)(H)3	119.9175	0.093	2	119.9175	0.009	2	119.3340	1.026	3	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:P[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>}	C(N[5]C[5]P[5])(H)3	117.9595	1.189	4	117.9824	1.064	5	117.9824	1.064	5	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:P[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>}	C(N[5]C[5]P[5])(H)3	118.0740	0.000	1	117.9824	1.064	5	117.9824	1.064	5	120.0227	5.269	288	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:2:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:O-2:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CHHO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(OH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CHHO){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C(N[5]C[5]2)(OH)(H)2	120.8160	0.000	1	120.8160	0.000	1	120.8160	0.000	1	120.8160	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC[6a]HH)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.9050	0.000	1	120.9050	0.000	1	121.4565	0.608	2	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|N<3>}	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.0080	0.000	1	122.0080	0.000	1	121.4565	0.608	2	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|Br<1>,1|O<1>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.9120	0.020	2	121.9137	0.000	3	121.9137	0.000	3	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|O<1>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.9170	0.000	1	121.9137	0.000	3	121.9137	0.000	3	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5,6]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	C[5](C[5,5,6]C[5,5,6]C[5,6]C[5])(N[5]C[5]C)(H)2{2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(CC[6a]HH)	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[3x5]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.9590	0.000	1	120.9590	0.000	1	121.1887	0.999	7	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.5065	0.381	2	120.5065	0.145	2	121.1887	0.999	7	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.7880	0.000	1	121.2450	0.418	2	121.1887	0.999	7	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.7020	0.000	1	121.2450	0.418	2	121.1887	0.999	7	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]O)(CC[6a]HH){1|O<1>,2|C<4>}	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.6360	0.000	1	120.6360	0.000	1	121.1887	0.999	7	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|C<4>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.2230	0.000	1	123.2230	0.000	1	121.1887	0.999	7	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.5780	0.000	1	122.6055	0.583	4	122.8988	0.867	5	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.5670	0.000	1	122.6055	0.583	4	122.8988	0.867	5	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.1385	0.351	2	122.6055	0.583	4	122.8988	0.867	5	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.0720	0.000	1	124.0720	0.000	1	122.8988	0.867	5	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[5a]HH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	122.1660	0.000	1	122.1660	0.000	1	120.6547	2.397	3	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	119.0720	0.000	1	119.0720	0.000	1	120.6547	2.397	3	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[5a]HH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C(C[5a]C[5a]S[5a])(N[5]C[5]2)(H)2	120.7260	0.000	1	120.7260	0.000	1	120.6547	2.397	3	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<6>,1|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	117.7040	0.000	1	117.7040	0.000	1	122.8272	9.379	5	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	124.7765	0.523	2	124.7765	0.273	2	122.8272	9.379	5	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6]HH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	123.4395	1.627	2	123.4395	2.647	2	122.8272	9.379	5	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	116.7790	1.353	3	116.7790	1.830	3	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]N)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.8130	0.000	1	120.8130	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|Cl<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Cl<1>,1|C<4>,1|O<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	122.4940	0.000	1	122.4940	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.9210	0.000	1	122.0488	0.326	9	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.2970	0.000	1	122.0488	0.326	9	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.2310	0.373	4	122.0488	0.326	9	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.0075	0.377	2	122.0488	0.326	9	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|I<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|I<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.2820	0.000	1	122.0488	0.326	9	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.2440	0.000	1	122.2440	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.8430	0.000	1	122.8430	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]S)(CC[6a]HH){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|S<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.0150	0.000	1	120.0150	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	118.9563	2.886	3	119.1985	5.169	6	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]HH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.4407	2.101	3	119.1985	5.169	6	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.6016	1.329	10	123.6016	1.767	10	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<4>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.1610	0.276	2	121.1610	0.076	2	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.8130	1.038	7	122.6555	0.830	13	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){1|S<2>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<2>,1|S<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.2380	0.000	1	122.6555	0.830	13	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.3340	0.000	1	122.6555	0.830	13	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.0170	0.525	3	122.6555	0.830	13	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]HH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.2080	0.000	1	122.6555	0.830	13	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|S<4>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|O<1>,1|S<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.8230	0.000	1	121.8230	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.0000	0.000	1	122.5995	0.321	2	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]HH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.1990	0.000	1	122.5995	0.321	2	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.1600	0.524	11	121.1600	0.275	11	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<4>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	119.7480	0.000	1	119.7480	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.4200	0.000	1	120.9133	2.053	4	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.4110	1.252	3	120.9133	2.053	4	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.7214	1.413	7	122.7214	1.997	7	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]W)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]W)(CC[6a]HH){2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|W<6>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.1235	0.194	2	119.1235	0.038	2	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<3>,1|C<4>}	C[5](C[5]C[6a]O[5]C)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.2140	0.000	1	122.2140	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.2240	0.000	1	124.2240	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]N)(CC[6a]HH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.3080	0.000	1	120.3080	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){1|C<3>,1|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.7300	0.000	1	123.7300	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]HH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.8010	0.000	1	123.8010	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.4720	1.213	2	121.4720	1.472	2	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CC[6a]HH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.3700	0.000	1	119.3700	0.000	1	121.6941	3.625	84	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]C)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]C)(H)2	119.8600	0.000	1	119.8600	0.000	1	122.0499	1.760	34	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(CNO)(H)2	121.7699	1.061	17	121.7699	1.127	17	122.0499	1.760	34	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(CNO)(H)2	123.2958	1.262	5	123.2958	1.594	5	122.0499	1.760	34	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC[6a]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]B)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|B<4>,1|C<3>}	C(N[5]C[5]2)(CC[6a]O)(H)2	119.2260	0.000	1	119.2260	0.000	1	122.0499	1.760	34	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	C(N[5]C[5]2)(COO)(H)2	120.0500	0.000	1	120.0500	0.000	1	122.0499	1.760	34	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CBrC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CBrC)(H)2	122.3160	0.000	1	122.3160	0.000	1	122.0499	1.760	34	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCI)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CCI)(H)2	123.0227	0.491	6	123.0227	0.241	6	122.0499	1.760	34	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CClC)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CClC)(H)2	122.3690	0.000	1	122.3690	0.000	1	122.0499	1.760	34	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C(N[5]C[5]2)(COO)(H)2	121.1710	0.000	1	121.1710	0.000	1	122.0499	1.760	34	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(NCC)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CHHN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(NCC)(H)2	121.9065	0.091	2	121.9065	0.008	2	121.9065	0.008	2	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CN[5]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CN[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C(N[5]C[5]2)2(H)2	124.8810	0.000	1	124.8810	0.000	1	122.7042	2.037	5	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CN[5]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CN[5]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<3>}	C(N[5]C[5]2)2(H)2	122.1600	0.861	4	122.1600	0.742	4	122.7042	2.037	5	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CN[6]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[6]C[6,6a]C[6,6])(N[5]C[5]2)(H)2	121.4290	0.000	1	121.4290	0.000	1	121.4290	0.000	1	121.8374	2.950	152	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:2:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:O-2:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHO){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C(N[5]C[5]2)(CC[6a]O)(OC)(H)	120.2680	0.000	1	120.2680	0.000	1	120.2680	0.000	1	120.2680	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]2H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5,6]O)(CC[6a]2H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	125.8910	0.000	1	125.8910	0.000	1	125.8910	0.000	1	125.8910	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH)	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]N[5,5]C[5]H)(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	120.7340	0.000	1	120.7340	0.000	1	120.7340	0.000	1	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	B[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	126.0290	0.000	1	126.0290	0.000	1	126.0290	0.000	1	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6a]CH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	123.0580	0.000	1	123.0580	0.000	1	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	122.3450	0.000	1	122.3450	0.000	1	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6a]CH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	120.8580	0.000	1	120.8580	0.000	1	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	116.9305	1.139	6	116.9305	1.298	6	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	123.1220	0.000	1	123.1220	0.000	1	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[6a]CH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CC3)(H)	126.2030	0.091	2	126.2030	0.008	2	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<8>,1|C<4>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CH3)(H)	121.5270	2.126	2	121.5270	4.518	2	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CRuHH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6a]CH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<8>,1|C<4>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(CRuHH)(H)	122.1180	0.000	1	122.1180	0.000	1	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]CH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	121.6170	0.000	1	121.6170	0.000	1	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CC[6a]CH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHH)(H)	124.9510	0.000	1	124.9510	0.000	1	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]C)(CC[6a]CH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]S[5]C)(CC[6a]CH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	119.4500	1.208	2	119.4500	1.459	2	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]CH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CC[6a]CH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	121.9230	0.000	1	121.9230	0.000	1	120.7968	10.483	20	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(NC[6a]H)(CH3)(H)	121.3300	0.000	1	121.3300	0.000	1	121.3300	0.000	1	121.0447	10.247	23	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	122.0892	0.511	4	122.0892	0.262	4	122.2576	0.241	8	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	122.4260	0.476	4	122.4260	0.226	4	122.2576	0.241	8	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]2)(CCHH){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	118.9415	0.251	2	118.9415	0.063	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|O<2>}	C(N[5]C[5]2)(CH3)(H)2	122.9310	0.000	1	122.9310	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,1|S<4>}	C(N[5]C[5]2)(CCHH)(H)2	122.3280	0.000	1	122.3280	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	121.6537	0.657	6	121.6537	0.432	6	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	122.6510	0.708	3	122.7635	0.385	4	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	123.1010	0.000	1	122.7635	0.385	4	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CRhHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(CRhHH)(H)2	120.2240	0.000	1	120.2240	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCCS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){4|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(N[5]C[5]2)(CCCS)(H)2	121.8620	0.000	1	121.8620	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	120.6215	1.163	2	120.6215	1.353	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>}	C(N[5]C[5]2)(CHHO)(H)2	122.6280	0.000	1	120.5820	2.612	5	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	120.0705	1.319	4	120.5820	2.612	5	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHOO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C(N[5]C[5]2)(CHOO)(H)2	121.4780	0.000	1	121.4780	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ga<4>,1|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	122.0360	0.000	1	122.0360	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	124.3980	2.400	2	124.3980	5.760	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ir)(CCHH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ir<4>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	120.5260	1.062	2	120.5260	1.128	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|N<3>}	C(N[5]C[5]2)(CCHH)(H)2	115.7220	0.000	1	118.8735	19.864	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	C(N[5]C[5]2)(CCHH)(H)2	122.0250	0.000	1	118.8735	19.864	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]N)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|N<2>}	C(N[5]C[5]2)(CHHN)(H)2	122.3490	0.000	1	122.3490	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(N[5]C[5]2)(CHHO)(H)2	122.2360	0.000	1	123.2025	1.868	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]O)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C(N[5]C[5]2)(CHHO)(H)2	124.1690	0.000	1	123.2025	1.868	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	C(N[5]C[5]2)(CHHS)(H)2	120.0480	0.000	1	120.0480	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	C(N[5]C[5]2)(CH3)(H)2	121.1847	1.002	6	121.1847	1.004	6	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHP)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pt)(CCHH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pt<4>,1|C<4>}	C(N[5]C[5]2)(CHHP)(H)2	123.5110	0.020	2	123.5110	0.000	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Re)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Re)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Re<5>,1|H<1>}	C(N[5]C[5]2)(CH3)(H)2	118.2150	0.000	1	118.2150	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<4>,2|C<3>}	C(N[5]C[5]2)(CHHS)(H)2	120.4445	2.005	2	120.4445	4.019	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	119.2470	0.000	1	119.2470	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<2>}	C(N[5]C[5]2)(CCHH)(H)2	122.1334	1.053	13	122.1334	1.109	13	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|S<1>}	C(N[5]C[5]2)(CC[5]HH)(H)2	119.7760	0.000	1	119.7760	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<2>}	C(N[5]C[5]2)(CH3)(H)2	122.9687	2.536	3	122.9687	6.430	3	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<1>}	C(N[5]C[5]2)(CHHN)(H)2	122.4470	0.000	1	122.4470	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<3>}	C(N[5]C[5]2)(CCCO)(H)2	123.2055	0.517	2	122.7593	0.731	3	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCHH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<4>}	C(N[5]C[5]2)(CCCO)(H)2	121.8670	0.000	1	122.7593	0.731	3	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	122.7320	0.000	1	122.7320	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CHHN)(H)2	123.4520	0.000	1	123.4520	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CHHO)(H)2	123.8650	0.411	6	123.8650	0.169	6	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CHHS)(H)2	124.6120	0.000	1	124.6120	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	122.6650	0.649	2	122.6650	0.421	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CN[5a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CN[5a]HH)(H)2	123.7989	0.882	7	123.7989	0.779	7	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CN[6]HH)(H)2	123.6535	0.284	2	123.6535	0.080	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CN[6a]HH)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]O)(CCHH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CN[6a]HH)(H)2	123.5555	1.443	2	123.5555	2.083	2	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	C(N[5]C[5]2)(CCCH)(H)2	119.1850	0.000	1	119.1850	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<2>}	C(N[5]C[5]2)(CCHH)(H)2	119.4840	0.000	1	119.4840	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCHH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|N<3>}	C(N[5]C[5]2)(CH3)(H)2	118.6090	0.000	1	118.6090	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCHH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	C(N[5]C[5]2)(CCHH)(H)2	119.3770	0.000	1	119.3770	0.000	1	121.9880	3.364	94	122.0091	3.119	102	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH)	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5,6]HH)(C[5]O[5]O)(CCCH){2|C<4>}	C[5](C[5,6]C[6]2O[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5]2)(CCHH)(COO)(H)	125.1560	0.000	1	125.1560	0.000	1	125.1560	0.000	1	123.4609	1.664	31	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C(N[5]C[5]2)(CCHH)(CNO)(H)	124.4770	0.000	1	124.9293	0.368	3	123.4044	1.619	30	123.4609	1.664	31	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C(N[5]C[5]2)(CCHH)(CNO)(H)	125.1555	0.655	2	124.9293	0.368	3	123.4044	1.619	30	123.4609	1.664	31	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(CCCH)(COO)(H)	123.3450	0.000	1	123.3450	0.000	1	123.4044	1.619	30	123.4609	1.664	31	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(CCHH)(CNO)(H)	123.3862	1.084	20	123.3910	1.117	21	123.4044	1.619	30	123.4609	1.664	31	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(CNO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,2|H<1>}	C(N[5]C[5]2)(CCHH)(CNO)(H)	123.4880	0.000	1	123.3910	1.117	21	123.4044	1.619	30	123.4609	1.664	31	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(CCHH)(COO)(H)	122.3247	2.288	3	122.3247	5.235	3	123.4044	1.619	30	123.4609	1.664	31	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CSiCH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]O)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(CSiCH)(CCH)(H)	124.0130	0.000	1	124.0130	0.000	1	123.4044	1.619	30	123.4609	1.664	31	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]S[5]O)(CCCH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|O<1>}	C(N[5]C[5]2)(CCHH)(CCH)(H)	121.8010	0.000	1	121.8010	0.000	1	123.4044	1.619	30	123.4609	1.664	31	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[3,5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:Si-4:Si-4:H-1:	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H)	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(SiC3)2(H)	N[5](C[5]C[3,5,5]HH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(H)2{1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(SiC3)2(H)	120.1650	0.000	2	120.1650	0.000	2	120.1650	0.000	2	120.8469	1.024	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCCH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CCCH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<5>,1|C<3>}	C(N[5]C[5]2)(CCHH)2(H)	122.0240	0.000	1	122.0240	0.000	1	121.0742	1.185	6	120.8469	1.024	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCCH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]N[5]Zn)(CCCH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Zn<4>,1|C<4>}	C(N[5]C[5]2)(CH3)2(H)	121.7060	0.000	1	121.7060	0.000	1	121.0742	1.185	6	120.8469	1.024	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCCH)	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]S[5]N)(CCCH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]S[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	120.6717	1.414	3	120.6717	1.999	3	121.0742	1.185	6	120.8469	1.024	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]S[5]S)(CCCH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|S<1>}	C(N[5]C[5]2)(CH3)2(H)	120.7000	0.000	1	120.7000	0.000	1	121.0742	1.185	6	120.8469	1.024	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC3)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[3,5]HH)(C[5]C[3,5]N)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(N[5]C[5]2)(CH3)3	120.7480	0.000	1	120.7480	0.000	1	120.7480	0.000	1	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3){1|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CH3)3	119.4325	0.012	2	119.4325	0.000	2	119.4325	0.000	2	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CC3)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CC3){3|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(CH3)3	122.7425	0.309	2	122.7425	0.095	2	122.7425	0.095	2	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(CH3)3	122.4550	0.000	1	122.4550	0.000	1	121.4746	4.074	15	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<4>}	C(N[5]C[5]2)(CH3)3	119.8140	1.431	2	119.8140	2.048	2	121.4746	4.074	15	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C(N[5]C[5]2)(CH3)3	122.7802	0.317	6	122.7802	0.100	6	121.4746	4.074	15	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	C(N[5]C[5]2)(CH3)3	120.2720	0.000	1	120.2720	0.000	1	121.4746	4.074	15	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<2>,1|C<4>}	C(N[5]C[5]2)(CH3)3	119.0760	0.000	1	119.0760	0.000	1	121.4746	4.074	15	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	119.0070	1.635	2	119.0070	2.673	2	121.4746	4.074	15	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CC3){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<1>}	C(N[5]C[5]2)(CH3)3	120.6400	0.000	1	120.6400	0.000	1	121.4746	4.074	15	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CRuHH)(CH3)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC3){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<3>}	C(N[5]C[5]2)(CRuHH)(CH3)2	125.3530	0.000	1	125.3530	0.000	1	121.4746	4.074	15	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:Si[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(Si[5]N[5]N)(CC3)	C[5](C[5]N[5]HH)(N[5]Si[5]C)(H)2	C(N[5]Si[5]C[5])(CH3)3	N[5](C[5]C[5]HH)(Si[5]N[5]N)(CC3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]Si[5]C)(H)2{1|C<4>,1|N<3>}	C(N[5]Si[5]C[5])(CH3)3	114.4055	0.906	2	114.4055	0.820	2	114.4055	0.820	2	120.7285	7.511	22	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:5:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-5:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]U)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCCOU)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]U)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|U<8>}	C(N[5]C[5]2)(CCCOU)(H)2	120.2680	0.789	2	120.2680	0.623	2	120.2680	0.623	2	120.2680	0.623	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[5]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CC[5]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	123.7885	0.605	2	123.7885	0.366	2	122.9470	2.307	3	123.2407	1.353	11	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[5]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CC[5]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>}	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	121.2640	0.000	1	121.2640	0.000	1	122.9470	2.307	3	123.2407	1.353	11	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]O)(CC[6]HH){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(H)2	121.5690	0.000	1	121.5690	0.000	1	123.0427	1.254	6	123.2407	1.353	11	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]C)(CC[6]HH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	C(C[6]C[6]O[6]H)(N[5]C[5]2)(H)2	121.6520	0.000	1	121.6520	0.000	1	123.0427	1.254	6	123.2407	1.353	11	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6]C[6]2Ru)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<9>,1|C<4>}	C(C[6]C[6]2Ru)(N[5]C[5]2)(H)2	123.7587	0.194	4	123.7587	0.038	4	123.0427	1.254	6	123.2407	1.353	11	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	P-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CHHP){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	124.2755	0.091	2	124.2755	0.008	2	124.2755	0.008	2	123.2407	1.353	11	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6]CH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	C(C[6]C[6]2H)(N[5]C[5]2)(CH3)(H)	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	121.9530	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6,6]-4:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CH3){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	120.8895	0.298	2	120.8895	0.089	2	120.8895	0.089	2	121.6625	1.155	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:O-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HO)(C[5]C[5,6]O)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(OH)(H){1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	122.4355	0.993	2	122.4355	0.987	2	122.4355	0.987	2	121.6625	1.155	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:O-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HO)(C[5]C[5,5]O)(CC[6a]HH){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]2H)(N[5]C[5]C)(OH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	121.7670	0.217	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6,6]-4:N[5]-3:O-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CC[6a]HH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6,6]HO)(C[5]C[5,6,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(OC)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.9900	0.000	1	121.9900	0.000	1	121.9900	0.000	1	121.7670	0.217	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:2:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:O-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HO)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(OH)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.2320	0.000	1	121.2320	0.000	1	121.2320	0.000	1	121.7670	0.217	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)(CH3)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(H)3	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	121.4424	8.835	16	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C(N[5]C[5]2)(H)3	122.4680	0.000	2	122.4680	0.000	2	122.4680	0.000	2	121.4424	8.835	16	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	C(N[5]C[5]2)(H)3	125.7720	0.642	2	125.7720	0.412	2	125.6893	0.227	3	121.4424	8.835	16	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]N[5]H)(C[5]N[5]O)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[5]N[5]O)(N[5]C[5]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	125.5240	0.000	1	125.5240	0.000	1	125.6893	0.227	3	121.4424	8.835	16	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CH3){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,4|C<3>,4|H<1>}	C(N[5]C[5]2)(H)3	121.2263	0.333	3	121.2263	0.111	3	119.7236	7.547	7	121.4424	8.835	16	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(CH3)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6]N[5])(CH3){1|Ru<9>,1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Ru<9>,2|H<1>,5|C<3>}	C(N[5]C[5]2)(H)3	122.6740	0.000	1	122.6740	0.000	1	119.7236	7.547	7	121.4424	8.835	16	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C(N[5]C[5]2)(H)3	115.8815	0.077	2	115.8815	0.006	2	119.7236	7.547	7	121.4424	8.835	16	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	119.9490	0.000	1	119.9490	0.000	1	119.7236	7.547	7	121.4424	8.835	16	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CNO)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CNO)(H){1|O<1>}	C(N[5]C[5]2)(H)3	122.4020	0.000	1	122.4020	0.000	1	122.4020	0.000	1	121.4424	8.835	16	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:N-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HN)(C[5]C[5]O)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(H){1|O<1>,2|H<1>}	C(N[5]C[5]2)(H)3	119.8150	1.863	2	119.8150	3.469	2	119.8150	3.469	2	121.4424	8.835	16	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.9720	0.000	1	120.9720	0.000	1	120.9720	0.000	1	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.0365	0.569	2	122.0193	0.163	3	122.0193	0.163	3	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CNO)(H){1|O<1>,3|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.9850	0.000	1	122.0193	0.163	3	122.0193	0.163	3	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]O)(CC[6a]HH){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.9590	0.000	1	122.9590	0.000	1	122.1717	0.922	3	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.4540	0.000	1	121.7780	0.914	2	122.1717	0.922	3	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]O)(CC[6a]HH){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.1020	0.000	1	121.7780	0.914	2	122.1717	0.922	3	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:N-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HN)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HN)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|O<2>}	C[5](C[5,6]C[6]O[5]O[6])(N[5]C[5]C)(NHS)(H){1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	125.3860	0.000	1	125.3860	0.000	1	125.3860	0.000	1	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,6|C<3>}	C[5](C[5]C[6a]N[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.5540	0.642	2	120.5540	0.412	2	122.1422	3.501	4	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]H)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.7305	0.029	2	123.7305	0.001	2	122.1422	3.501	4	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.1367	0.639	3	122.1367	0.408	3	122.2719	0.933	12	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.7310	0.000	2	122.1918	0.397	5	122.2719	0.933	12	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.8323	0.557	3	122.1918	0.397	5	122.2719	0.933	12	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|S<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.1910	0.000	1	123.1910	0.000	1	122.2719	0.933	12	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CN[5]O)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CN[5]O)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.1370	0.000	1	123.1370	0.000	1	122.2719	0.933	12	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(COO)(H){1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.4710	0.000	1	123.4710	0.000	1	122.2719	0.933	12	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]O)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]O)(CC[6a]HH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCO)(H){1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.0950	0.000	1	120.0950	0.000	1	122.2719	0.933	12	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:O-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(O){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	122.2692	1.395	26	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	124.3630	0.000	1	124.3630	0.000	1	124.2715	0.017	2	124.2715	0.017	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]2H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)2(N[5]C[5]2)(H)	124.1800	0.000	1	124.1800	0.000	1	124.2715	0.017	2	124.2715	0.017	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:3:3:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFO)(H)	C(C[6a]C[6a]2)3(N[5]C[5]2)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFO)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	124.3520	0.772	2	124.3520	0.596	2	124.3520	0.596	2	124.3520	0.596	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:4:4:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]CC)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]CC){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)2	124.3000	0.000	1	124.3000	0.000	1	124.3000	0.000	1	124.3000	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:C[5a]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[3x5,6]C[5a]H)(C[5]C[5,5,6]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[5a]C[5a]N[5a])(N[5]C[5]C)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	120.6630	0.000	1	120.6630	0.000	1	120.6630	0.000	1	122.6359	2.416	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCCH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[5]C[5]2)(CCCH)(H)2	122.7390	0.522	4	122.7390	0.272	4	122.7390	0.272	4	122.6359	2.416	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,1|O<1>}	C(N[5]C[5]2)(CCHH)(H)2	121.4940	0.000	1	121.4940	0.000	1	122.9480	4.126	5	122.6359	2.416	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,1|O<1>,1|O<2>}	C(N[5]C[5]2)(CHHN)(H)2	123.3115	2.149	4	123.3115	4.620	4	122.9480	4.126	5	122.6359	2.416	10	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:2:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-4:O-2:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(OSi)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]O)(CCHO){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<1>,2|H<1>,4|C<3>}	C(N[5]C[5]2)(CCHH)(OSi)(H)	124.4450	0.000	1	124.4450	0.000	1	124.4450	0.000	1	124.4450	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3)	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O)(CC3){1|Si<4>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5]SiH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)3	123.7950	0.000	2	123.7950	0.000	2	123.7950	0.000	2	124.1894	0.275	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	124.3908	0.274	5	124.3908	0.075	5	124.3021	0.300	7	124.1894	0.275	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	124.0805	1.166	2	124.0805	1.360	2	124.3021	0.300	7	124.1894	0.275	9	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[4]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[4]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(C[4]C[4]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[4]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	C(C[4]C[4]2H)(N[5]C[5]2)(H)2	124.9890	0.000	1	124.9890	0.000	1	124.9890	0.000	1	124.9890	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6]CH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){1|O<1>}	C(C[6]C[6]2O)(N[5]C[5]2)(CCHH)(H)	122.3307	0.170	3	122.3307	0.029	3	122.3307	0.029	3	122.3307	0.029	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]O)(C[5]C[5,5]O)(CH3)	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]O)(C[5]C[5,5]O)(CH3){1|N<3>,2|F<1>,3|C<3>}	C[5](C[5]C[5,5]FF)(C[6a]C[6a]2)(N[5]C[5]C)(OH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	120.4150	0.000	1	120.4150	0.000	1	120.4150	0.000	1	120.4150	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:C-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(CN)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(CN){1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.9610	0.000	1	122.9610	0.000	1	122.9610	0.000	1	122.8325	0.259	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]O)(OH){1|C<4>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.6250	0.769	2	122.6250	0.592	2	122.6250	0.592	2	122.8325	0.259	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:N-3:N-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]NN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NC[6a]H)(NC){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.1190	0.000	1	123.1190	0.000	1	123.1190	0.000	1	122.8325	0.259	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:2:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:C-3:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6]CO)(C[5]C[5,6]O)(CCHH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[5a]O)(OH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5,6]CO)(C[5]C[5,6]O)(CCHH){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[5a]O)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	123.5150	1.988	2	123.5150	3.954	2	123.5150	3.954	2	123.5150	3.954	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:C-3:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CC)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]CC)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(COO)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.6980	0.000	1	123.6980	0.000	1	123.6980	0.000	1	122.8193	0.592	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.3800	0.158	2	122.3800	0.025	2	122.3800	0.025	2	122.8193	0.592	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3){1|C<4>,4|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C(N[5]C[5]2)(H)3	122.0100	0.000	1	122.0100	0.000	1	122.0100	0.000	1	122.0100	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3){1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	C(N[5]C[5]2)(H)3	121.9580	0.000	1	121.9580	0.000	1	122.6754	1.552	5	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3)	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)(C[5]C[3x5]O)(CH3){1|C<3>,1|C<4>,2|O<2>}	C[5](C[5,5]C[3x5]O[5]O)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<1>,2|C<4>}	C(N[5]C[5]2)(H)3	121.9620	0.528	2	121.9620	0.278	2	122.6754	1.552	5	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CCCH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|O<1>,2|C<4>}	C(N[5]C[5]2)(H)3	124.7720	0.000	1	124.7720	0.000	1	122.6754	1.552	5	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<1>,2|C<4>}	C(N[5]C[5]2)(H)3	122.7230	0.000	1	122.7230	0.000	1	122.6754	1.552	5	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(H){1|C<3>,1|O<1>}	C(N[5]C[5]2)(H)3	121.9680	0.000	1	121.9680	0.000	1	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>,2|H<1>}	C(N[5]C[5]2)(H)3	122.3755	0.087	2	122.3755	0.008	2	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]O)(CH3){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CC[6a]HO)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C(N[5]C[5]2)(H)3	122.2274	0.841	7	122.2274	0.707	7	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]H)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]H)(CH3){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	122.8880	0.284	2	122.8880	0.081	2	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	119.5525	1.030	2	120.8556	1.823	5	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	C(N[5]C[5]2)(H)3	121.7243	0.533	3	120.8556	1.823	5	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	123.7450	0.000	1	123.7450	0.000	1	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]Ru)(CH3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CC3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]Ru)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CC3)(H){1|Ru<5>,1|C<3>}	C(N[5]C[5]2)(H)3	122.6875	0.438	2	122.6875	0.192	2	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|C<3>}	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCFH)(H){1|O<1>,4|C<3>}	C(N[5]C[5]2)(H)3	124.9630	1.326	4	124.9630	1.757	4	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|C<3>}	C[5](C[5]C[6a]2O[5])(N[5]C[5]C)(CCHH)(H){1|O<1>,4|C<3>}	C(N[5]C[5]2)(H)3	124.0825	1.831	4	124.0825	3.352	4	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]O[5]O)(CH3){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	C(N[5]C[5]2)(H)3	124.1870	0.000	1	124.1870	0.000	1	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]S)(CH3)	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]S[5]S)(CH3){1|C<4>,1|H<1>}	C[5](C[5]S[5]CH)(N[5]C[5]C)(CH3)(H){1|S<1>}	C(N[5]C[5]2)(H)3	120.6860	0.000	1	120.6860	0.000	1	122.7513	2.825	30	122.7405	2.593	35	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.3900	0.000	1	122.3900	0.000	1	122.3900	0.000	1	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.0085	0.021	2	123.0085	0.000	2	122.3158	0.495	5	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.2890	0.000	1	121.8540	0.190	3	122.3158	0.495	5	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]O)(CC[6a]HH){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.6365	0.310	2	121.8540	0.190	3	122.3158	0.495	5	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.7830	0.000	1	121.7830	0.000	1	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.2575	0.301	2	124.2575	0.090	2	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.8800	0.513	3	121.8800	0.263	3	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.4750	0.000	1	122.4750	0.000	1	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	125.6060	0.000	1	125.6060	0.000	1	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]Pd)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]Pd)(CC[6a]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|Pd<4>,1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.3610	0.000	1	121.3610	0.000	1	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]N)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]N)(CC[6a]HH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.7230	0.000	1	121.7230	0.000	1	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.0380	0.038	2	124.0380	0.001	2	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.1395	0.480	2	123.1395	0.231	2	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CC[6a]HH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.5010	0.000	1	123.5010	0.000	1	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]S)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]S)(CC[6a]HH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|S<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.0940	0.000	1	122.0940	0.000	1	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.5730	0.000	1	119.5730	0.000	1	122.7427	2.158	17	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(N[5]C[5]2)(CCH)(H)2	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:S-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HS)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(SC[6a]OO)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.3590	0.000	1	123.3590	0.000	1	123.3590	0.000	1	122.6435	1.585	25	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	123.7660	0.000	1	123.7660	0.000	1	124.5825	0.689	4	124.3646	2.420	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[3x5,6]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[3x5,6]CH)(C[5]C[5,5,6]O)(CCHH){1|H<1>,1|O<2>,2|C<4>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(CCHH)(H){1|O<1>,3|C<4>,3|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	124.8547	0.768	3	124.8547	0.590	3	124.5825	0.689	4	124.3646	2.420	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCCH)(H){1|O<1>,2|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	123.4240	0.000	1	123.4240	0.000	1	124.0740	6.005	3	124.3646	2.420	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCHH){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(CCHH)(H)2	122.0140	0.000	1	122.0140	0.000	1	124.0740	6.005	3	124.3646	2.420	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHH){2|C<4>}	C[5](C[5]O[5]CC)(N[5]C[5]C)(CCCH)(H){1|O<1>}	C(N[5]C[5]2)(CCHH)(H)2	126.7840	0.000	1	126.7840	0.000	1	124.0740	6.005	3	124.3646	2.420	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(CCCH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]O)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<1>,2|H<1>}	C(N[5]C[5]2)(CCCH)(COO)(H)	126.8280	0.000	1	126.8280	0.000	1	126.8280	0.000	1	126.8280	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[3,5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:Si-4:Si-4:H-1:	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H)	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H)	C(N[5]C[5]2)(SiC3)2(H)	N[5](C[5]C[3,5,5]CH)(C[5]C[3,5]O)(CSi2H){1|C<4>,1|H<1>,1|N<3>}	C[5](C[3,5,5]C[3,5]2N[5])(N[5]C[5]C)(CHHO)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(SiC3)2(H)	122.2240	0.000	1	122.2240	0.000	1	122.2240	0.000	1	125.1615	17.258	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:S-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]O)(CCHS){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|O<1>}	C(N[5]C[5]2)(SC[6a]OO)(CH3)(H)	128.0990	0.000	1	128.0990	0.000	1	128.0990	0.000	1	125.1615	17.258	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	125.0946	0.826	5	125.0946	0.683	5	125.3035	0.808	6	125.3035	0.808	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	126.3480	0.000	1	126.3480	0.000	1	125.3035	0.808	6	125.3035	0.808	6	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6,6]-4:N[5]-3:C-4:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6,6]CO)(C[5]C[5,6,6]O)(CH3)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6,6]CO)(C[5]C[5,6,6]O)(CH3){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(CH3)(OH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	121.7855	0.424	2	121.7855	0.179	2	121.7855	0.179	2	121.9507	0.172	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CO)(C[5]C[5]O)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(OC){1|O<1>,2|H<1>}	C(N[5]C[5]2)(H)3	122.2810	0.000	1	122.2810	0.000	1	122.2810	0.000	1	121.9507	0.172	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[4,5]-4:N[5]-3:C-4:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[4,5]CO)(C[5]C[4,5]O)(CC[6a]HH)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]CO)(C[5]C[4,5]O)(CC[6a]HH){2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|O<1>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.9030	0.000	1	123.9030	0.000	1	123.9030	0.000	1	123.2095	1.625	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.7800	0.000	1	123.7800	0.000	1	122.5395	3.078	2	123.2095	1.625	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<2>,1|S<2>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(CCHH)(OH){1|O<1>,1|O<2>,2|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.2990	0.000	1	121.2990	0.000	1	122.5395	3.078	2	123.2095	1.625	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:O-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CO)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(OH){1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.8560	0.000	1	123.8560	0.000	1	123.8560	0.000	1	123.2095	1.625	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:O-2:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CC[6a]CH){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	122.2880	0.000	1	122.2880	0.000	1	122.2880	0.000	1	122.2880	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CCHH)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH)	C(N[5]C[5]2)(CC[6a]HH)(H)2	N[5](C[5]C[5,5]CO)(C[5]C[5,5]O)(CCHH){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CF3)(OH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(N[5]C[5]2)(CC[6a]HH)(H)2	122.6230	0.000	1	122.6230	0.000	1	122.6230	0.000	1	122.6230	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:O-2:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	C(N[5]C[5]2)(CCHS)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	C(N[5]C[5]2)(CCHS)(COO)(H)	127.5010	0.000	1	127.5010	0.000	1	124.9275	7.981	4	124.9275	7.981	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:O-2:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	120.9800	0.000	1	120.9800	0.000	1	124.9275	7.981	4	124.9275	7.981	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:O-2:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	C(N[5]C[5]2)(CHHN)(CNO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	C(N[5]C[5]2)(CHHN)(CNO)(H)	126.2440	0.000	1	126.2440	0.000	1	124.9275	7.981	4	124.9275	7.981	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:O-2:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	C(N[5]C[5]2)(CHHS)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	C(N[5]C[5]2)(CHHS)(COO)(H)	124.9850	0.000	1	124.9850	0.000	1	124.9275	7.981	4	124.9275	7.981	4	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)(COO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)(COO){1|C<3>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.8920	0.000	1	124.8920	0.000	1	125.1153	5.011	4	123.3345	2.470	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|C<4>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.0310	0.000	1	122.0310	0.000	1	125.1153	5.011	4	123.3345	2.470	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(COO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CC[6a]HH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(COO){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	126.7690	0.000	2	126.7690	0.000	2	125.1153	5.011	4	123.3345	2.470	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:N-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(NCH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(NCH){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.9310	0.000	1	121.9310	0.000	1	122.6870	0.225	11	123.3345	2.470	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:N-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NCH){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.7890	0.724	2	122.7890	0.524	2	122.6870	0.225	11	123.3345	2.470	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:N-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NHH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]HH)(NHH){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.6100	0.000	1	122.6100	0.000	1	122.6870	0.225	11	123.3345	2.470	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:N-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.9117	0.043	3	122.9117	0.002	3	122.6870	0.225	11	123.3345	2.470	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:N-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(NCH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(NCH){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.2070	0.083	2	122.2070	0.007	2	122.6870	0.225	11	123.3345	2.470	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:N-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CC[6a]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CF3)(NCH){1|H<1>,1|O<1>,1|O<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.1445	0.299	2	123.1445	0.089	2	122.6870	0.225	11	123.3345	2.470	15	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]O)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCH){1|O<1>,2|H<1>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	124.4770	0.000	1	124.4770	0.000	1	124.4770	0.000	1	123.0670	0.667	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:N-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	C(N[5]C[5]2)(CC[5a]HH)(H)2	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	C(N[5]C[5]2)(CC[5a]HH)(H)2	122.7145	0.246	4	122.7145	0.061	4	122.7145	0.061	4	123.0670	0.667	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:3:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:N-3:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CN)(C[5]C[5]O)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(NCH){1|O<1>,2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	121.3285	0.337	2	121.3285	0.114	2	121.3285	0.114	2	121.3285	0.114	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CH3)	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]CC)(C[5]N[5,6]O)(CH3){1|C<4>,1|H<1>,1|S<2>}	C[5](C[5,6]N[5,6]S[6]H)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	122.9070	0.000	1	122.9070	0.000	1	122.9070	0.000	1	121.3843	1.507	20	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]C)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	120.0560	0.000	1	120.0560	0.000	1	120.4661	1.244	9	121.3843	1.507	20	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]O[5]B)(CH3){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|B<4>}	C(N[5]C[5]2)(H)3	120.5174	1.181	8	120.5174	1.394	8	120.4661	1.244	9	121.3843	1.507	20	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-4:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3)	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]N[5]CC)(C[5]C[5]O)(CH3){1|C<4>,3|H<1>}	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	122.0585	0.687	10	122.0585	0.471	10	122.0585	0.471	10	121.3843	1.507	20	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	N[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH)	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]N[5]CC)(C[5]C[5]O)(CCHH){1|C<4>,3|H<1>}	C[5](N[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(COO)(H)2	124.7240	0.000	1	124.7240	0.000	1	124.7240	0.000	1	124.7240	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCHH){1|N<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	121.8730	1.268	6	121.8730	1.607	6	121.8730	1.607	6	122.3314	2.811	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:P-4:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]O[5]O)(CHHP)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(PO3)(H)2	N[5](C[5]C[5]CC)(C[5]O[5]O)(CHHP){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|O<1>}	C(N[5]C[5]2)(PO3)(H)2	125.0820	0.000	1	125.0820	0.000	1	125.0820	0.000	1	122.3314	2.811	7	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCCH)	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]O)(CCCH){1|Fe<10>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]Fe)(N[5]C[5]C)(CH3)2{1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	121.8340	0.000	1	121.8340	0.000	1	121.8340	0.000	1	122.4800	9.459	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	122.8283	4.295	3	122.8283	18.449	3	122.6415	12.439	4	122.4800	9.459	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]C[5]H)(CCCH){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	122.0810	0.000	1	122.0810	0.000	1	122.6415	12.439	4	122.4800	9.459	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]C[5]H)(CC3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]CC)(C[5]C[5]H)(CC3){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)3	128.0380	0.000	1	128.0380	0.000	1	128.0380	0.000	1	128.0380	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]N[5]H)(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|O<1>,3|C<3>}	C(N[5]C[5]2)(H)3	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	119.7125	0.036	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:P[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]P[5]H)(C[5]N[5]N)(CH3)	C[5](C[5]C[5]2Fe)(P[5]N[5]CW)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]P[5]H)(C[5]N[5]N)(CH3){1|Fe<10>,1|W<6>,3|C<4>}	C[5](C[5]C[5]2Fe)(P[5]N[5]CW)(N[5]C[5]C)(H){1|N<3>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	119.5790	0.000	1	119.5790	0.000	1	119.5790	0.000	1	119.7125	0.036	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]HH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CC[6a]HH){1|C<3>,1|O<2>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	123.9170	0.000	1	123.9170	0.000	1	123.9170	0.000	1	122.7857	0.960	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]S[5]O)(CC[6a]HH)	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]C[6]H)(C[5]S[5]O)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	C[5](C[6]C[6]O[6]O)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	122.2200	0.000	2	122.2200	0.000	2	122.2200	0.000	2	122.7857	0.960	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH){2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	123.8780	0.000	1	123.5330	0.238	2	123.5330	0.238	2	123.5330	0.238	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH)	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]O)(CCHH){2|C<4>,5|H<1>}	C[5](C[5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	123.1880	0.000	1	123.5330	0.238	2	123.5330	0.238	2	123.5330	0.238	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:2:	3:2:1:1:	C[5]-4:C[5]-3:C-4:	C[3]-4:C[5]-4:N[5]-3:O-2:	N[5]-3:C-2:H-1:H-1:	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH)	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[3]C[5]O)(C[5]C[5]O)(CCHH){1|C<4>,1|O<2>,5|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)(OO){1|O<1>,4|H<1>}	C(N[5]C[5]2)(CC)(H)2	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:4:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[4]-4:C[5]-4:N[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){2|H<1>,3|C<4>}	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO){1|C<4>,1|O<1>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	126.7460	0.000	1	126.7460	0.000	1	126.7460	0.000	1	126.7460	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	5:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-5:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3)	C[5](C[5,6]C[5]C[6]2Ru)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]HH)(C[5]C[5]O)(CH3){1|Ru<11>,1|C<3>,2|C<4>}	C[5](C[5,6]C[5]C[6]2Ru)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1	120.6700	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:3:4:	5:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	Ge[5,5]-5:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]Ge[5,5]HH)(C[5]O[5]C)(CCHH)	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]Ge[5,5]HH)(C[5]O[5]C)(CCHH){1|Cl<1>,1|C<4>,1|O<2>}	C[5](Ge[5,5]C[5]O[5]2Cl)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	118.7525	0.525	2	118.7525	0.276	2	118.7525	0.276	2	118.7525	0.276	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:2:	3:3:3:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	113.2850	0.000	1	113.2850	0.000	1	113.2850	0.000	1	113.2850	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:2:	3:3:3:2:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]2N[5])(CC[6a]HH)(O[5]C[5]){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	112.8945	0.213	2	112.8945	0.045	2	112.8945	0.045	2	112.8945	0.045	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:3:	4:3:1:1:	3:3:3:1:	C-4:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]C[5]HH)(C[5]C[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	124.5480	0.912	2	124.5480	0.832	2	124.5480	0.832	2	124.5480	0.832	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C-4:C[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	C[3x6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(CC[3x6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>}	C(C[3x6]O[6,6]3)(N[5]C[5]2)(H)2	123.6070	0.000	1	123.6070	0.000	1	123.6070	0.000	1	123.6070	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:3:	4:3:3:1:	3:3:3:1:	C-4:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5](CC[6a]N[5]H)(C[5]C[5]CH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	N[5](CC[6a]N[5]H)(C[5]C[5]CH)(C[5]C[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)2(H)	125.8480	1.935	2	125.8480	3.743	2	125.8480	3.743	2	125.8480	3.743	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:2:4:1:	3:3:1:1:	P[5]-4:C[5]-4:C-4:	N[5]-3:C[5]-2:C-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](P[5]C[6a]O[5]B)(C[5]C[5]CH)(CC[6a]HH)	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H)	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](P[5]C[6a]O[5]B)(C[5]C[5]CH)(CC[6a]HH){2|C<3>}	C[5](N[5]P[5]C)(C[5]O[5])(CCCH)(H){1|B<4>,1|C<3>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	119.8820	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5,6a]C[6a]2)(C[5]C[5,6a]HH)(CH3){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]P[5]C)(H)2{1|H<1>,4|C<3>}	C(N[5]C[5]P[5])(H)3	120.5060	0.000	1	120.5060	0.000	1	120.5060	0.000	1	120.5060	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:N-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)	C[5](N[5]C[5]C)2(NCH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3){1|C<4>,2|H<1>}	C[5](N[5]C[5]C)2(NCH)(H){4|H<1>}	C(N[5]C[5]2)(H)3	126.3605	1.303	2	126.3605	1.698	2	126.3605	1.698	2	126.3605	1.698	2	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NC[6]H)(H){1|H<1>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	122.0300	0.000	1	122.0300	0.000	1	122.0300	0.000	1	122.0300	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:3:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO)	C(N[5]C[5]S[5])(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO){1|F<1>,2|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5]S[5])(CCH)(H)2	123.4840	0.000	1	123.4840	0.000	1	123.4840	0.000	1	123.4840	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:3:1:1:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	121.1462	1.758	5	121.1462	3.092	5	121.1462	3.092	5	121.1462	3.092	5	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	123.0460	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,6]C[5])(CH3)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	C(N[5]P[5,6]C[5])(CH3)(H)2	121.8140	0.000	1	121.8140	0.000	1	121.8140	0.000	1	120.9577	0.576	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	120.5295	0.230	2	120.5295	0.053	2	120.5295	0.053	2	120.9577	0.576	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:4:1:	P[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,5]C[5])(CH3)2(H)	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<4>,1|C<3>,1|C<4>}	C(N[5]P[5,5]C[5])(CH3)2(H)	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:4:4:	Si[3,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3)	C[5](N[5]Si[3,5]C)(C[5]N[5]CH)(H)2	C(N[5]Si[3,5]C[5])(CH3)3	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]HH)(CC3){1|C<3>,1|H<1>,2|C<4>,2|N<3>}	C[5](N[5]Si[3,5]C)(C[5]N[5]CH)(H)2{1|Si<4>,1|C<4>,1|N<3>}	C(N[5]Si[3,5]C[5])(CH3)3	115.0100	0.024	2	115.0100	0.001	2	115.0100	0.001	2	115.5327	0.820	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:4:4:	Si[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](Si[5,5]N[5]3)(C[5]C[5]HH)(CC3)	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2	C(N[5]Si[5,5]C[5])(CH3)3	N[5](Si[5,5]N[5]3)(C[5]C[5]HH)(CC3){1|H<1>,2|N<2>,4|C<4>}	C[5](N[5]Si[5,5]C)(C[5]N[5]CH)(H)2{1|C<4>,2|N<3>}	C(N[5]Si[5,5]C[5])(CH3)3	116.5780	0.000	1	116.5780	0.000	1	116.5780	0.000	1	115.5327	0.820	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:4:1:	3:4:4:4:	Si[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](Si[5,5]N[5]3)(C[5]C[5]CH)(CC3)	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H)	C(N[5]Si[5,5]C[5])(CH3)3	N[5](Si[5,5]N[5]3)(C[5]C[5]CH)(CC3){2|H<1>,2|N<2>,3|C<4>}	C[5](N[5]Si[5,5]C)(C[5]N[5]HH)(CC3)(H){1|C<4>,2|N<3>}	C(N[5]Si[5,5]C[5])(CH3)3	123.9190	0.000	1	123.9190	0.000	1	123.9190	0.000	1	123.9190	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:4:3:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:C[6]-4:N[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]C[5]C[6])(C[5]C[5]CC)(CCCH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[6]C[6]2H)(N[5]C[5]C)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]C[6])(C[5]C[5]CC)(CCCH){2|C<4>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[6]C[6]2H)(N[5]C[5]C){2|C<4>,4|C<3>,6|H<1>}	C(N[5]C[5]2)(CH3)2(H)	120.1670	0.000	1	120.1670	0.000	1	120.1670	0.000	1	120.1670	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]HN)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(H)3	121.7605	1.115	2	121.7605	1.243	2	121.7605	1.243	2	119.6489	1.364	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(P[5]N[5]BO)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]BO)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|B<4>,1|C<4>,1|O<2>}	C(N[5]C[5]P[5])(H)3	120.1150	0.728	2	120.1150	0.530	2	120.1150	0.530	2	119.6489	1.364	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C(N[5]C[5]P[5])(H)3	119.8715	0.029	2	119.8715	0.001	2	119.1334	0.439	10	119.6489	1.364	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]C[6a]N[5]Pt)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[6a]N[5]Pt)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,1|C<3>,1|C<4>}	C(N[5]C[5]P[5])(H)3	117.9090	0.000	1	117.9090	0.000	1	119.1334	0.439	10	119.6489	1.364	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Cl<1>,1|Pt<4>,1|C<4>}	C(N[5]C[5]P[5])(H)3	118.3800	0.000	1	118.3800	0.000	1	119.1334	0.439	10	119.6489	1.364	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>,1|O<2>}	C(N[5]C[5]P[5])(H)3	119.0735	0.253	4	119.0735	0.064	4	119.1334	0.439	10	119.6489	1.364	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pd<4>,2|C<4>}	C(N[5]C[5]P[5])(H)3	119.9010	0.000	1	119.9010	0.000	1	119.1334	0.439	10	119.6489	1.364	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,2|C<4>}	C(N[5]C[5]P[5])(H)3	119.1070	0.000	1	119.1070	0.000	1	119.1334	0.439	10	119.6489	1.364	14	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	121.7530	0.000	1	121.7530	0.000	1	121.7530	0.000	1	121.7530	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)(CCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(CH3)(CCH)(H)	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(CCHH)(CH3)(H)	124.4910	0.000	1	124.4910	0.000	1	124.4910	0.000	1	122.9407	2.712	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCCH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5,6]N[5]Rh)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Rh<6>,2|C<3>}	C(N[5]C[5]P[5])(CH3)2(H)	123.1190	0.000	1	123.1190	0.000	1	122.1655	1.818	2	122.9407	2.712	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<3>,1|C<4>}	C(N[5]C[5]P[5])(CH3)2(H)	121.2120	0.000	1	121.2120	0.000	1	122.1655	1.818	2	122.9407	2.712	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5]CH)(S[5]O[5]OO)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]S[5]C)(COO)(H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(S[5]O[5]OO)(CC[6a]HH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]S[5]C)(COO)(H){2|O<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	123.3940	0.000	1	123.3940	0.000	1	123.3940	0.000	1	123.3940	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:4:4:	C[5]-4:P[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C(N[5]C[5]P[5])(CH3)3	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(N[5]C[5]P[5])(CH3)3	120.3085	1.114	2	120.3085	1.240	2	120.3085	1.240	2	120.7570	1.224	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:4:4:	C[5]-4:S[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H)	C(N[5]C[5]S[5])(CH3)3	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCH)(H){1|C<4>,2|O<1>}	C(N[5]C[5]S[5])(CH3)3	121.6540	0.000	1	121.6540	0.000	1	121.6540	0.000	1	120.7570	1.224	3	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:P[5,5]-4:C-4:	C[5]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H)	C(N[5]P[5,5]C[5])(H)3	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C(N[5]P[5,5]C[5])(H)3	120.7520	0.000	1	120.7520	0.000	1	120.7520	0.000	1	120.1151	0.726	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]P[5])(H)3	119.9130	0.000	1	119.9130	0.000	1	120.3635	0.406	2	120.1151	0.726	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(P[5]O[5]NO)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]CH)(P[5]O[5]NO)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5]P[5])(H)3	120.8140	0.000	1	120.8140	0.000	1	120.3635	0.406	2	120.1151	0.726	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	P[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5,5]N[5]3)(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H)	C(N[5]P[5,5]C[5])(H)3	N[5](P[5,5]N[5]3)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(CCCH)(H){1|H<1>,2|N<3>,4|C<3>}	C(N[5]P[5,5]C[5])(H)3	120.2320	1.236	2	120.2320	1.528	2	120.2320	1.528	2	120.1151	0.726	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]P[5])(H)3	119.6593	0.991	3	119.6593	0.983	3	119.6593	0.983	3	120.1151	0.726	8	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:4:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]C[5]C[6])(C[5]C[5]CC)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]C[6])(C[5]C[5]CC)(CCCH){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,3|C<4>}	C(N[5]C[5]2)(CH3)2(H)	123.9820	0.000	1	123.9820	0.000	1	123.9820	0.000	1	123.9820	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	5:4:4:	4:3:1:1:	3:4:1:1:	P[3x5]-5:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	C(N[5]P[3x5]C[5])(CCCH)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	C(N[5]P[3x5]C[5])(CCCH)(H)2	114.9600	0.000	1	114.9600	0.000	1	114.9600	0.000	1	114.9600	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP2_SP3_SP3	N[5]	C[5]	C	5:4:4:	4:3:1:1:	3:4:4:4:	P[5]-5:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)3	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ce<8>,1|C<4>,1|N<2>,1|N<3>}	C(N[5]C[5]P[5])(CH3)3	118.1040	0.000	1	118.1040	0.000	1	118.1040	0.000	1	118.1040	0.000	1	121.5803	6.776	1454	122.8169	5.768	3572
542	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C	4:3:4:	4:3:3:1:	3:4:4:4:	C[5,5,6]-4:Ge[5,5,6]-3:C-4:	C[5,5,6]-4:C[5,6,6a]-3:N[5,5]-3:H-1:	N[5,5]-3:C-4:C-4:C-4:	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3)	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H)	C(N[5,5]Ge[5,5,6]C[5,5,6])(CH3)3	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(Ge[5,5,6]C[5,6,6a]N[5,5,6])(CC3){1|Ge<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]N[5,5,6]C[5,6a]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]Ge[5,5,6]C)(H){1|Ge<2>,1|C<4>,1|H<1>,4|C<3>}	C(N[5,5]Ge[5,5,6]C[5,5,6])(CH3)3	116.0710	0.000	1	116.0710	0.000	1	116.0710	0.000	1	116.0710	0.000	1	115.6514	0.394	9	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C-3:H-1:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(CCHH)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H)	C(N[5,5]C[5,5,6]2)(CCH)(H)2	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(CCHH){2|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]C[5,5,6]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(N[5,5]C[5,5,6]2)(CCH)(H)2	115.4892	0.788	4	115.4892	0.620	4	115.4892	0.620	4	115.4892	0.620	4	115.6514	0.394	9	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C	4:4:4:	3:4:3:3:	3:3:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	N[5,5]-3:C[5,6]-4:C[5,6]-3:C[6a]-3:	N[5,5]-3:C[6a]-3:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a])(CC[6a]HH)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]O)(C[6a]C[6a]2)	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a])(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]N[5,6]O)(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(H)2	115.3590	0.000	1	115.3590	0.000	1	115.3590	0.000	1	115.3590	0.000	1	115.6514	0.394	9	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C	4:4:4:	3:4:3:4:	3:3:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	N[5,5]-3:C[5,6]-4:N[5,6]-3:C-4:	N[5,5]-3:C[6a]-3:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a])(CC[6a]HH)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(N[5,6]C[5,6]C)(CH3)	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]C)(C[5,5,6]C[5,6]2C[6a])(CC[6a]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(N[5,6]C[5,6]C)(CH3){1|C<3>,1|O<1>,2|H<1>}	C(N[5,5]C[5,5,6]2)(C[6a]C[6a]2)(H)2	115.1020	0.000	1	115.1020	0.000	1	115.1020	0.000	1	115.1020	0.000	1	115.6514	0.394	9	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:H-1:H-1:H-1:	N[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(CH3)	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H)	C(N[5,5]C[5,5,6]2)(H)3	N[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[6,6a]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(H){1|O<2>,2|C<3>,4|H<1>}	C(N[5,5]C[5,5,6]2)(H)3	116.0270	0.000	1	116.0270	0.000	1	116.1870	0.051	2	116.1870	0.051	2	115.6514	0.394	9	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:H-1:H-1:H-1:	N[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(CH3)	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C(N[5,5]C[5,5,6]2)(H)3	N[5,5](C[5,5,6]C[5,6,6]C[5,6]H)2(CH3){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]O[6]H)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[5,5]C[5,5,6]2)(H)3	116.3470	0.000	1	116.3470	0.000	1	116.1870	0.051	2	116.1870	0.051	2	115.6514	0.394	9	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[4,5,5]-4:C[5,5]-4:C-4:	C[4,5,5]-4:N[5,5]-3:H-1:H-1:	N[5,5]-3:C[6a]-3:H-1:H-1:	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH)	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(H)2	N[5,5](C[4,5,5]C[4,5]2H)(C[5,5]C[4,5,5]HH)(CC[6a]HH){2|Br<1>,3|H<1>}	C[5,5](C[4,5,5]C[4,5]2H)(N[5,5]C[4,5,5]C)(H)2{2|Br<1>,3|H<1>}	C(N[5,5]C[4,5,5]C[5,5])(C[6a]C[6a]2)(H)2	114.1140	0.000	1	114.1140	0.000	1	114.1140	0.000	1	114.1140	0.000	1	114.1140	0.000	1	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,5,3x6]	C	4:4:4:	4:4:3:4:	3:1:1:1:	C[5,5,3x6]-4:C[5,6]-4:C-4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(CH3)	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH)	C(N[5,6]C[5,5,3x6]C[5,6])(H)3	N[5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[5,5,3x6](C[5,5,6,6]C[5,5,6]C[6,6]C[6])(C[5,3x6]C[5,6]C[6,6]H)(N[5,6]C[5,6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,9|H<1>}	C(N[5,6]C[5,5,3x6]C[5,6])(H)3	116.8880	0.007	2	116.8880	0.000	2	116.8880	0.000	2	116.8880	0.000	2	116.8880	0.000	2	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C	4:3:4:	3:4:3:4:	3:3:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	N[5,5]-3:C[5,6]-4:N[5,6]-3:C-4:	N[5,6]-3:C[6a]-3:H-1:H-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(N[5,6]C[5,6]C)(CH3)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(N[5,6]C[5,6]C)(CH3){1|C<3>,1|O<1>,2|H<1>}	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	124.9560	0.000	1	124.9560	0.000	1	124.9560	0.000	1	124.9560	0.000	1	116.6605	15.584	13	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C	4:3:4:	4:2:3:4:	3:3:1:1:	C[5,5,6]-4:C[5,6]-3:C-4:	C[5,5,6]-4:O[5,5]-2:N[5,6]-3:C-4:	N[5,6]-3:C[6a]-3:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(C[5,6]C[5,5,6]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(O[5,5]C[5,5,6])(N[5,6]C[5,6]C)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(H)2	124.9540	0.000	1	124.9540	0.000	1	124.9540	0.000	1	124.9540	0.000	1	116.6605	15.584	13	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C	4:4:4:	4:3:3:1:	3:3:4:1:	C[5,5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	N[5,6]-3:C[6a]-3:C-4:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]C)(H)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH){1|C<3>,4|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]H)(N[5,6]C[5,6]C)(H){1|C<3>,3|H<1>}	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	115.3550	0.888	2	115.3550	0.789	2	115.3550	0.789	2	115.3550	0.789	2	116.6605	15.584	13	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6,6]-4:C-4:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,6]-3:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(CH3)	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H)	C(N[5,6]C[5,5,6]C[5,6,6])(H)3	N[5,6](C[5,5,6]C[5,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6,6]C[5,3x6]C[5,6,6]C[6])(C[5,3x6]C[5,5x6]C[6,6]H)(N[5,6]C[5,6,6]C)(H){2|O<2>,5|H<1>,6|C<4>}	C(N[5,6]C[5,5,6]C[5,6,6])(H)3	118.6330	0.000	1	118.6330	0.000	1	118.6330	0.000	1	118.6330	0.000	1	116.6605	15.584	13	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6a]-3:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]2H)2(CC[6a]HH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,6]C[5,5,6]C)(H)	C(N[5,6]C[5,5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]2H)2(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]C[5,6]H)(N[5,6]C[5,5,6]C)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C(N[5,6]C[5,5,6]2)(C[6a]C[6a]2)(H)2	115.6637	0.258	4	115.6637	0.066	4	114.6666	1.359	8	114.6666	1.359	8	116.6605	15.584	13	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,5,6]-4:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6a]-3:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]2H)2(CC[6a]HH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]H)(N[5,6]C[5,5,6]C)(H)	C(N[5,6]C[5,5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,5,6]C[5,5,6]2H)2(CC[6a]HH){1|N<3>,2|C<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6]C)(C[5,5,6]C[5,5,6]N[5,6]H)(N[5,6]C[5,5,6]C)(H){2|C<3>,3|H<1>,4|C<4>}	C(N[5,6]C[5,5,6]2)(C[6a]C[6a]2)(H)2	113.6695	0.674	4	113.6695	0.454	4	114.6666	1.359	8	114.6666	1.359	8	116.6605	15.584	13	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6,6]-4:C-4:	C[5,6,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(CH3)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H)	C(N[5,6]C[5,5,6]C[5,6,6])(H)3	N[5,6](C[5,5,6]C[5,5,6,6]C[5,3x6]H)(C[5,6,6]C[5,6,6]C[6,6]H)(CH3){1|O<2>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[6]H)(C[6,6]C[5,5x6]HO)(N[5,6]C[5,5,6]C)(H){1|C<3>,1|H<1>,6|C<4>}	C(N[5,6]C[5,5,6]C[5,6,6])(H)3	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5,6]S[5]H)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5,6]S[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H){1|H<1>,2|C<4>}	C(N[5,6]C[5,6]2)(H)3	112.6010	0.560	2	112.6010	0.314	2	112.6010	0.314	2	112.6010	0.314	2	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C(N[5,6]C[5,6]2)(H)3	115.0160	0.143	2	115.0160	0.020	2	115.0160	0.020	2	115.0160	0.020	2	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	N[5,6]-3:C-3:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CCHH)	C[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H)	C(N[5,6]C[5,6]2)(CCH)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH){1|C<4>,1|N<3>,5|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H){1|C<4>,1|O<2>,3|H<1>}	C(N[5,6]C[5,6]2)(CCH)(H)2	112.3197	0.099	3	112.3197	0.010	3	112.3197	0.010	3	112.3197	0.010	3	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:3:1:	3:3:4:4:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	N[5,6]-3:C[6a]-3:C-4:C-4:	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]CC)	C[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H)	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(CH3)2	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]CC){1|O<2>,6|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H){1|C<4>,2|H<1>}	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(CH3)2	117.7550	0.148	2	117.7550	0.022	2	117.7550	0.022	2	117.7550	0.022	2	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:3:4:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH){1|C<3>,4|H<1>}	C(N[5,6]C[5,6]2)(H)3	116.2990	0.000	1	116.2990	0.000	1	115.6845	0.755	2	115.6845	0.755	2	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:3:4:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3){1|C<3>,4|H<1>}	C(N[5,6]C[5,6]2)(H)3	115.0700	0.000	1	115.0700	0.000	1	115.6845	0.755	2	115.6845	0.755	2	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2)(H)3	111.7290	0.000	1	111.7468	1.121	6	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C(N[5,6]C[5,6]2)(H)3	110.9800	0.000	1	111.7468	1.121	6	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2)(H)3	112.0945	1.974	2	111.7468	1.121	6	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2)(H)3	111.7915	0.937	2	111.7468	1.121	6	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C(N[5,6]C[5,6]2)(H)3	112.3320	0.000	1	113.3155	3.453	13	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2)(H)3	111.8340	0.970	2	113.3155	3.453	13	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,8|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C(N[5,6]C[5,6]2)(H)3	116.7120	0.865	2	113.3155	3.453	13	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|H<1>}	C(N[5,6]C[5,6]2)(H)3	114.0805	2.210	2	113.3155	3.453	13	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2)(H)3	112.5860	0.644	6	113.3155	3.453	13	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<3>,1|C<4>,1|I<1>,6|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2)(H)3	109.8000	0.000	1	109.8000	0.000	1	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5]C[6]H)2(CH3){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|H<1>}	C(N[5,6]C[5,6]2)(H)3	115.3560	3.280	2	115.3560	10.756	2	112.9134	4.271	22	112.9134	4.271	22	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:2:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C-2:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CCHH)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2)(CN)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH){1|C<3>,8|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C(N[5,6]C[5,6]2)(CN)(H)2	115.9660	0.806	2	115.9660	0.650	2	115.9660	0.650	2	115.9660	0.650	2	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6a]-3:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]HH)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,3|H<1>}	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	111.8435	0.550	4	111.8435	0.303	4	111.1885	0.902	8	111.1885	0.902	8	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	3:4:4:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6a]-3:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]HH)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CC[6a]HH){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	110.5335	0.811	4	110.5335	0.657	4	111.1885	0.902	8	111.1885	0.902	8	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5,3x6]-4:C[5,6]-4:C-4:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(CH3)	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6]C[5,5,3x6]C)(H)2	C(N[5,6]C[5,5,3x6]C[5,6])(H)3	N[5,6](C[5,5,3x6]C[5,5,6,6]C[5,3x6]C[6])(C[5,6]C[5,5,6]HH)(CH3){1|C<3>,4|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,5,6,6]C[5,6]H)(N[5,6]C[5,5,3x6]C)(H)2{1|C<3>,2|H<1>,3|C<4>}	C(N[5,6]C[5,5,3x6]C[5,6])(H)3	112.2880	0.038	2	112.2880	0.001	2	112.2880	0.001	2	112.2880	0.001	2	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	4:3:2:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	N[5,6]-3:H-1:H-1:H-1:	N[5,6](C[5,6]C[5,6]S[5]H)(C[5,6]C[5]C[6]H)(CH3)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C)(S[5]C[5])(H)	C(N[5,6]C[5,6]2)(H)3	N[5,6](C[5,6]C[5,6]S[5]H)(C[5,6]C[5]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C)(S[5]C[5])(H){1|C<3>,1|C<4>,1|S<2>,5|H<1>}	C(N[5,6]C[5,6]2)(H)3	113.3975	0.655	2	113.3975	0.430	2	113.3975	0.430	2	113.3975	0.430	2	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	4:3:2:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	N[5,6]-3:C[6a]-3:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(CC[6a]HH)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H)	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(CC[6a]HH){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H){1|O<2>,2|C<4>,4|H<1>}	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[6]-4:N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C-3:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CCHH)	C[5,6](C[6]C[6]N[5]H)(N[5,6]C[5,6]C)(C[5]C[5]H)(H)	C(N[5,6]C[5,6]2)(CCH)(H)2	N[5,6](C[5,6]C[5]C[6]H)2(CCHH){1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[6]C[6]N[5]H)(N[5,6]C[5,6]C)(C[5]C[5]H)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C(N[5,6]C[5,6]2)(CCH)(H)2	111.9920	0.759	3	111.9920	0.576	3	111.9920	0.576	3	111.9920	0.576	3	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:4:1:	C[5,5,6]-4:C[5,6]-4:C-4:	C[5,5,6]-4:N[5,6]-3:C-3:H-1:	N[5,6]-3:C[6a]-3:C-4:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)(H)	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(CC[6a]CH){1|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)(H){1|C<3>,4|H<1>}	C(N[5,6]C[5,5,6]C[5,6])(C[6a]C[6a]2)(CH3)(H)	113.7500	1.385	2	113.7500	1.917	2	113.7500	1.917	2	113.7500	1.917	2	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6a]-3:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(CC[6a]HH)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H)	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5,5]O[6]H)(CC[6a]HH){1|C<4>,1|S<4>,2|O<2>,3|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(C[6]C[6]HS)(H){1|C<4>,2|O<2>,4|H<1>}	C(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)2	117.4700	0.000	1	117.4700	0.000	1	117.4700	0.000	1	117.4700	0.000	1	113.2201	4.780	54	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[3x5,6]	C	4:4:4:	4:4:3:3:	3:1:1:1:	C[3x5,6]-4:C[5]-4:C-4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CH3)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6a]O)(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[3x5,6]C[5])(H)3	N[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,5,6]C[5,5,6]C[5,6a]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|S<2>,3|C<3>,6|H<1>}	C(N[5]C[3x5,6]C[5])(H)3	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[3x5]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[3x5]-4:C[5,6a]-3:C-4:	C[3x5]-4:C[5]-3:N[5]-3:O[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5])	C(N[5]C[5,6a]C[3x5])(H)3	N[5](C[3x5]C[3x5]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[3x5](C[3x5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5])(N[5]C[5,6a]C)(O[5]C[5]){5|H<1>,6|C<3>}	C(N[5]C[5,6a]C[3x5])(H)3	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1	122.3400	0.000	1	117.3074	4.133	12	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[3x5]	C	4:4:4:	4:3:4:3:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5,6]O)(N[5]C[5]C){1|O<1>,6|C<3>,7|H<1>}	C(N[5]C[3x5]C[5])(H)3	116.0630	0.000	1	116.0630	0.000	1	115.5950	0.335	3	115.5950	0.335	3	117.3074	4.133	12	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[3x5]	C	4:4:4:	4:3:4:3:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]N[5,6]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C(N[5]C[3x5]C[5])(H)3	115.3610	0.584	2	115.3610	0.341	2	115.5950	0.335	3	115.5950	0.335	3	117.3074	4.133	12	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[3x5]	C	4:4:4:	4:4:3:3:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C(N[5]C[3x5]C[5])(H)3	116.4375	0.344	2	116.4375	0.119	2	116.5950	0.806	5	117.3205	1.524	8	117.3074	4.133	12	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[3x5]	C	4:4:4:	4:4:3:3:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C(N[5]C[3x5]C[5])(H)3	116.7000	1.230	3	116.7000	1.512	3	116.5950	0.806	5	117.3205	1.524	8	117.3074	4.133	12	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[3x5]	C	4:4:4:	4:4:3:3:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C(N[5]C[3x5]C[5])(H)3	118.1200	0.000	1	118.5297	0.211	3	118.5297	0.211	3	117.3205	1.524	8	117.3074	4.133	12	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[3x5]	C	4:4:4:	4:4:3:3:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[3x5](C[5,5]C[5,6a]O[5]O)(C[5,5]C[5]2C)(C[5]C[5,6a]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C(N[5]C[3x5]C[5])(H)3	118.7345	0.412	2	118.5297	0.211	3	118.5297	0.211	3	117.3205	1.524	8	117.3074	4.133	12	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6,6]	C	4:4:4:	4:4:4:3:	3:1:1:1:	C[5,5,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[5,6]-4:C[5,6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6,6]C[5,6,6]C[5,6]2)(C[5]C[5]HH)(CH3)	C[5,5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[5,6]C[5,6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,6,6]C[5,6]2)(C[5]C[5]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[6]O[5]O)(C[5,6]C[5,6]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,8|H<1>}	C(N[5]C[5,5,6,6]C[5])(H)3	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	3:4:4:	4:4:3:1:	3:4:1:1:	C[5,6a]-3:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH)	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5,6]C[5,5,6]2H)(CCHH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5,6a]H)(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|O<2>,3|C<3>}	C(N[5]C[5,5,6]C[5,6a])(CHHN)(H)2	117.1290	1.039	2	117.1290	1.080	2	117.1290	1.080	2	117.1290	1.080	2	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	3:4:3:3:	3:1:1:1:	C[5,5,6]-4:C[5]-3:C-4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CH3)	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,6]N[5,5]N[5,6])(C[5]C[5]H)(CH3){2|H<1>,2|N<3>,3|C<3>}	C[5,5,6](N[5,6]C[5,6a]C[6,6a])(C[5,6]N[5,6]N[5]H)(N[5,5]C[5,6a]C[5])(N[5]C[5]C){1|C<4>,2|H<1>,6|C<3>}	C(N[5]C[5,5,6]C[5])(H)3	121.4405	0.134	2	121.4405	0.018	2	121.4405	0.018	2	121.4405	0.018	2	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	3:4:3:3:	3:3:1:1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[5,6a]-3:C[5,6]-4:C[5,6]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C)	C(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,6a]C[5,6]2)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5,6a]C){1|N<3>,1|O<2>,2|H<1>,5|C<3>}	C(N[5]C[5,5,6]C[5,6a])(C[6a]C[6a]2)(H)2	119.7790	0.000	1	119.7790	0.000	1	119.7790	0.000	1	119.7790	0.000	1	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C(N[5]C[5,5,6]C[5,6a])(H)3	121.1080	0.000	1	119.5925	1.405	6	119.5925	1.405	6	119.5925	1.405	6	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,5,6]C[5,6a])(H)3	120.1230	0.945	2	119.5925	1.405	6	119.5925	1.405	6	119.5925	1.405	6	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5,6a])(H)3	118.5745	0.954	2	119.5925	1.405	6	119.5925	1.405	6	119.5925	1.405	6	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5,6]-4:C[5,6a]-3:C-4:	C[3x5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,5,6]C[5,6a])(H)3	N[5](C[5,5,6]C[3x5,6]C[5,5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,5,6](C[3x5,6]C[3x5,6,6]C[5,6a]C[5])(C[5,5,6]C[5,6]O[5,5]C)(N[5]C[5,6a]C)(H){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5,5,6]C[5,6a])(H)3	119.0520	0.000	1	119.5925	1.405	6	119.5925	1.405	6	119.5925	1.405	6	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-3:C-4:	C[5,5,6,6]-4:C[6]-4:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH)	C[5,5,6](C[5,5,6,6]N[5,6]2C[6])(C[6]C[6]HH)(N[5]C[5]C)2	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6,6]C[6]N[5])(C[5]N[5,6]O)(CC[6a]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6,6]N[5,6]2C[6])(C[6]C[6]HH)(N[5]C[5]C)2{2|O<1>,3|C<4>,4|H<1>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	121.6470	0.000	1	121.6470	0.000	1	121.6470	0.000	1	121.6470	0.000	1	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	118.6340	0.000	1	118.8247	0.063	4	118.8247	0.063	4	118.8247	0.063	4	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(C[5]O[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	118.8883	0.266	3	118.8247	0.063	4	118.8247	0.063	4	118.8247	0.063	4	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:4:4:	4:3:4:3:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCHH)	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(CC[6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5]C[6])(N[5]C[5,6a]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,7|H<1>}	C(N[5]C[5,5,6]C[5])(CC[6]C)(H)2	112.8290	0.000	1	112.8290	0.000	1	112.8290	0.000	1	112.8290	0.000	1	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]HH)(CC[6a]HH)	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H)	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]N[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]C)(H){1|C<3>,1|C<4>,6|H<1>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	114.6510	0.208	2	114.6510	0.043	2	114.6510	0.043	2	114.6510	0.043	2	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:4:4:	4:4:3:2:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:O[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3)	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5])	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5]){1|C<4>,2|C<3>,6|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	118.5150	0.480	3	118.5150	0.230	3	118.7892	0.454	4	118.7892	0.454	4	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:4:4:	4:4:3:2:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:O[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3)	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5])	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3){2|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,6,6a]C[5,5]Cl)(C[5,6]C[5,5,6]ClH)(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	119.6120	0.000	1	119.6120	0.000	1	118.7892	0.454	4	118.7892	0.454	4	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:4:4:	4:4:4:3:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[4,5,5,6]-4:C[3,6]-4:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[4,5,5,6]C[3,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5,6](C[4,5,5,6]C[4,5,5]C[4,6]C[5])(C[3,6]C[3,6]O[3]H)(C[5]C[5]HH)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[4,5,5,6]C[3,6]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[5,5,6](C[4,5,5,6]C[4,5,5]C[4,6]C[5])(C[3,6]C[3,6]O[3]H)(C[5]C[5]HH)(N[5]C[5]C){1|C<3>,2|C<4>,8|H<1>}	C(N[5]C[5,5,6]C[5])(H)3	115.6670	0.000	1	115.6670	0.000	1	115.6670	0.000	1	116.2993	0.317	3	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	4:4:4:	4:4:4:3:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6,6]-4:C[5]-4:C[6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(N[5]C[5]C)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5]C[5]HH)(CH3){4|C<4>,6|H<1>}	C[5,5,6](C[5,5,6,6]C[5,5,6]C[6,6]C[5])(C[5]C[5]HH)(C[6]C[6]HH)(N[5]C[5]C){10|H<1>,1|C<3>,2|C<4>}	C(N[5]C[5,5,6]C[5])(H)3	116.6155	0.185	2	116.6155	0.034	2	116.6155	0.034	2	116.2993	0.317	3	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5,6]	C	6:4:4:	4:4:3:1:	3:4:4:4:	Nb[3x3,5]-6:C[5,5,6]-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](Nb[3x3,5]C[3,3]2C[3,5]N[3]N)(C[5,5,6]C[5,5,6]2H)(CC3)	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H)	C(N[5]Nb[3x3,5]C[5,5,6])(CH3)3	N[5](Nb[3x3,5]C[3,3]2C[3,5]N[3]N)(C[5,5,6]C[5,5,6]2H)(CC3){1|C<3>,3|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[3,5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5]Nb[3x3,5]C)(H){1|N<2>,1|N<3>,4|C<4>,5|H<1>}	C(N[5]Nb[3x3,5]C[5,5,6])(CH3)3	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	114.5580	0.000	1	118.2283	5.413	27	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:3:3:3:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5]-3:C[5]-3:N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	C[5,5](C[5]C[5,6a]O)2(N[5]C[5,6a]C)2	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)2(N[5]C[5,6a]C)2{4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	120.7220	1.112	2	120.7220	1.236	2	120.7220	1.236	2	120.7220	1.236	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:3:3:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]C)(C[5]N[5]C){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:3:4:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CC)(C[5]N[5]S)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|H<1>,1|N<3>,1|S<1>,3|C<3>,3|C<4>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CC)(C[5]N[5]S){1|O<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	121.1275	0.944	2	121.1275	0.891	2	120.3315	1.249	4	120.3315	1.249	4	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	3:3:4:3:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	N[5]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH)	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]S[5]N)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CC[6a]HH){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](N[5]C[5,6a]C)2(C[5]C[5]CH)(C[5]S[5]N){3|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	119.5355	0.568	2	119.5355	0.322	2	120.3315	1.249	4	120.3315	1.249	4	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:2:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(O[5]C[5,6a])(H){4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	120.7000	0.000	1	120.7000	0.000	1	120.5855	0.026	2	120.5855	0.026	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:2:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(O[5]C[5])(H){4|C<3>,5|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	120.4710	0.000	1	120.4710	0.000	1	120.5855	0.026	2	120.5855	0.026	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:2:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H)	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]O[5]H)(CC[5]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(O[5]C[5])(H){2|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,5])(C[5]C[5]2C)(H)2	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5])(N[5]C[5,6a]C)(H){1|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	117.7805	0.029	2	117.7805	0.001	2	117.7805	0.001	2	119.6941	4.110	15	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	119.6941	4.110	15	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	119.6433	1.605	3	119.6433	2.577	3	119.8870	4.316	12	119.6941	4.110	15	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	121.7520	1.295	2	121.7520	1.678	2	119.8870	4.316	12	119.6941	4.110	15	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,6a]C)(N[5]C[5]S)(H){2|C<3>,2|S<2>,5|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	122.5800	0.000	1	122.5800	0.000	1	119.8870	4.316	12	119.6941	4.110	15	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,2|C<3>,4|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	119.4150	0.000	1	118.6275	1.240	2	119.8870	4.316	12	119.6941	4.110	15	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	117.8400	0.000	1	118.6275	1.240	2	119.8870	4.316	12	119.6941	4.110	15	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CH3){1|H<1>,1|S<4>,2|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	119.0938	2.538	4	119.0938	6.442	4	119.8870	4.316	12	119.6941	4.110	15	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]S)(H){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(CHHN)(H)2	121.7600	0.000	1	121.7600	0.000	1	122.0060	0.121	2	122.0060	0.121	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]H)(CCHH){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5,5])(CH3)(H)2	122.2520	0.000	1	122.2520	0.000	1	122.0060	0.121	2	122.0060	0.121	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:3:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:C[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3)	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CH3){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C){1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:3:	3:4:4:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:C[5]-3:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH)	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C)	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2N[5])(CCCH){1|N<3>,2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5]N[5,5]HH)(N[5]C[5,6a]C)2(C[5]C[5,5]C){1|N<3>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(CH3)2(H)	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:3:4:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3)	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]N[5]C)(CH3){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]2C)(N[5]C[5,6a]C)(N[5]C[5,6a]H)(CH3){4|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	119.8003	1.307	4	119.8003	1.708	4	119.8003	1.708	4	119.8003	1.708	4	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CH3){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]O[5]CC)(H){1|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	116.6180	0.000	1	116.6180	0.000	1	116.6180	0.000	1	116.6180	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|Br<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	113.3930	0.000	1	113.3930	0.000	1	117.3165	30.788	2	117.3165	30.788	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[5]N[5]CC)(H){1|H<1>,1|S<4>,3|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	121.2400	0.000	1	121.2400	0.000	1	117.3165	30.788	2	117.3165	30.788	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:4:3:1:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(H){1|O<1>,2|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,5])(C[6a]C[6a]2)(H)2	118.6680	0.000	1	118.6680	0.000	1	118.6680	0.000	1	118.6680	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	3:4:4:	4:4:3:4:	3:1:1:1:	C[5,6a]-3:C[5,5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]C)(CH3){3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[6a]C[5]H)(N[5]C[5,6a]C)(CH3){1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,5])(H)3	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:O[5]-2:C-4:	C[3x5,6]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5,6])(CH3)	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]O[5]O)(N[5]O[5]C)(H)	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[3x5,6]C[5]H)(O[5]C[5,5,6])(CH3){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]O[5]O)(N[5]O[5]C)(H){1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,5]O[5])(H)3	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	112.6910	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:2:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:N[5]-2:C-4:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(CCHH)	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5]C)(H)	C(N[5]C[5,5]N[5])(CCH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(N[5]N[5])(CCHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]N[5]O)(N[5]N[5]C)(H){1|C<3>,1|O<1>}	C(N[5]C[5,5]N[5])(CCH)(H)2	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:2:4:	4:3:3:2:	3:1:1:1:	C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){1|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5,5]O[5])(H)3	115.0050	0.000	1	114.4430	0.278	3	114.4430	0.278	3	114.4430	0.278	3	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:2:4:	4:3:3:2:	3:1:1:1:	C[5,5]-4:O[5]-2:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5])	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[5,5]C[6a]O[5])(O[5]C[5])(CH3){1|N<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]O[5]C)(O[5]N[5]){3|C<3>,4|H<1>}	C(N[5]C[5,5]O[5])(H)3	114.1620	0.288	2	114.4430	0.278	3	114.4430	0.278	3	114.4430	0.278	3	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:2:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:O[5]-2:C-4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CC[6a]HH)	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(O[5]C[5,6])(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	114.5590	0.000	1	114.5590	0.000	1	114.5590	0.000	1	114.5590	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:2:4:	4:4:4:3:	3:1:1:1:	C[5,5]-4:O[5]-2:C-4:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5]3)(O[5]C[5])(CH3)	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(N[5]O[5]C)	C(N[5]C[5,5]O[5])(H)3	N[5](C[5,5]C[5]3)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<2>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]O[5]CH)(N[5]O[5]C){1|O<1>,2|H<1>}	C(N[5]C[5,5]O[5])(H)3	115.2310	0.000	1	115.2310	0.000	1	115.2310	0.000	1	115.2310	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CH3)	C[5,5](C[5,5]C[5]O[5])(C[5]C[5,6]H)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]O[5]N)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5,5](C[5,5]C[5]O[5])(C[5]C[5,6]H)(N[5]C[5]C)(H){1|N<2>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	124.2450	0.000	1	124.2450	0.000	1	124.2450	0.000	1	124.2450	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:3:3:3:	3:3:3:1:	C[5,5]-4:N[5]-3:C-4:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5]-3:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C)	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5,5]C[5,6a]3)(N[5]C[5,6a]P)(CC[6a]2H){6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5]N[5]C){1|P<4>,3|H<1>,6|C<3>}	C(N[5]C[5,5]N[5])(C[6a]C[6a]2)2(H)	113.8840	0.000	1	113.8840	0.000	1	113.8840	0.000	1	113.8840	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	3:4:4:3:	3:4:4:4:	C[5,5]-4:C[5]-3:C-4:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CH3)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(CC3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]HH)2(N[5]C[5]C){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(CH3)3	126.3310	0.000	1	126.3310	0.000	1	126.3310	0.000	1	126.3310	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	120.6430	0.000	1	118.9593	2.642	3	118.9593	2.642	3	120.6182	4.607	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H)	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[5,6a]C[5,6]C[6])(N[5]C[5,6a]C)(C[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	118.1175	1.016	2	118.9593	2.642	3	118.9593	2.642	3	120.6182	4.607	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(H)3	122.2770	0.788	3	122.2770	0.620	3	122.2770	0.620	3	120.6182	4.607	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	120.7350	0.372	2	120.7350	0.138	2	120.7350	0.138	2	121.7012	1.613	72	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|O<1>,1|O<2>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	121.5350	0.000	1	121.7288	1.630	70	121.7288	1.630	70	121.7012	1.613	72	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])2(H)2	121.7317	1.286	69	121.7288	1.630	70	121.7288	1.630	70	121.7012	1.613	72	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[5,5]-4:C[5,6a]-3:C-4:	C[5,5]-4:N[5]-3:C[6a]-3:O[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5])	C(N[5]C[5,6a]C[5,5])(H)3	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[5]C[5]){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C(N[5]C[5,6a]C[5,5])(H)3	118.8880	0.000	1	118.8880	0.000	1	118.8880	0.000	1	118.8880	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:2:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:S[5]-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH)	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(N[5]C[5]C)(S[5]C[5])	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5]2S[5])(C[5]C[5]C)(CCHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5]C[5]CC)(C[5]N[5]C)(N[5]C[5]C)(S[5]C[5]){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C(N[5]C[5,5]C[5])(CH3)(H)2	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|O<1>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	122.6490	0.000	1	122.6490	0.000	1	122.6490	0.000	1	122.6490	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5,6]-4:N[5]-3:N[5]-3:C-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH)	C[5,5](C[5,5,6]N[5,6]2C)(N[5]C[5]C)2(COO)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5,6]N[5]C)(C[5]N[5,6]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5,6]N[5,6]2C)(N[5]C[5]C)2(COO){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	122.0810	0.354	2	122.0810	0.125	2	122.0810	0.125	2	121.2467	0.548	21	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|O<1>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	120.7630	0.000	1	120.9313	0.201	3	120.9313	0.201	3	121.2467	0.548	21	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<4>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|C<4>,2|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	121.0155	0.600	2	120.9313	0.201	3	120.9313	0.201	3	121.2467	0.548	21	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(COO)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(COO){2|H<1>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	121.1140	0.513	5	121.2015	0.580	16	121.2015	0.580	16	121.2467	0.548	21	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(COO)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CC[6a]HH){1|N<3>,2|C<3>,2|C<4>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(COO){2|C<4>,2|O<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	121.2413	0.871	11	121.2015	0.580	16	121.2015	0.580	16	121.2467	0.548	21	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH)	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[5]N[5]O)(CCHH){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[6a]N[5]2)(C[6a]C[6a]2)(N[5]C[5]C)2{2|O<1>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(CH3)(H)2	124.3330	0.215	2	124.3330	0.046	2	124.3330	0.046	2	124.3330	0.046	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:3:3:4:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH)	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]N[5]O)(CN[5]HH){1|C<3>,1|N<3>,3|C<4>}	C[5,5](C[5,5]N[5]2C)(N[5]C[5]C)2(CH3){1|O<1>,1|O<2>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	125.7370	0.000	1	125.7370	0.000	1	125.7370	0.000	1	125.7370	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O)(CH3)	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]C[5]O)(CH3){1|C<2>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>,3|O<2>}	C(N[5]C[5,5]C[5])(H)3	120.0840	0.000	1	120.0840	0.000	1	120.0840	0.000	1	121.1543	1.014	3	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,2|O<1>}	C(N[5]C[5,5]C[5])(H)3	122.0830	0.000	1	122.0830	0.000	1	121.6895	0.310	2	121.1543	1.014	3	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,5]-4:C[5]-3:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3)	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(CH3){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	C(N[5]C[5,5]C[5])(H)3	121.2960	0.000	1	121.2960	0.000	1	121.6895	0.310	2	121.1543	1.014	3	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C-4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH)	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]C[5]H)(C[5]N[5,5]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[3x5]N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	119.6640	0.000	1	119.6640	0.000	1	119.6640	0.000	1	119.6640	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:2:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C-4:O[5]-2:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5]){3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]HH)(N[5]O[5]C)(H){2|H<1>,4|C<3>}	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	112.8380	0.000	1	112.8380	0.000	1	111.7355	2.431	2	111.7355	2.431	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:2:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C-4:O[5]-2:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5,6]HO)(N[5]O[5]C)(H){1|C<4>,2|O<2>,3|H<1>}	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	110.6330	0.000	1	110.6330	0.000	1	111.7355	2.431	2	111.7355	2.431	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:2:	4:4:4:3:	3:3:1:1:	C[5,5]-4:C-4:O[5]-2:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(CC[6a]HH)(O[5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(N[5]O[5]C)	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]2)(CC[6a]HH)(O[5]C[5]){2|O<2>,3|C<4>,5|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5]C[5]HH)(C[5]O[5]CH)(N[5]O[5]C){1|O<2>,2|C<4>,2|H<1>}	C(N[5]C[5,5]O[5])(C[6a]C[6a]2)(H)2	113.9250	0.000	1	113.9250	0.000	1	113.9250	0.000	1	113.9250	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:3:2:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:N[5]-3:O[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]N[5]2O[5])(C[5]C[6a]C[5]H)(CH3)	C[5,5](N[5]C[5]C)3(O[5]C[5])	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]N[5]2O[5])(C[5]C[6a]C[5]H)(CH3){1|H<1>,3|C<3>,4|C<4>}	C[5,5](N[5]C[5]C)3(O[5]C[5]){4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	117.5725	2.956	2	117.5725	8.740	2	117.5725	8.740	2	117.5725	8.740	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:3:2:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:N[5]-3:O[5]-2:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5]2O[5])(C[5]C[5]CH)(CC[6a]HH)	C[5,5](N[5]C[5]C)3(O[5]C[5])	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5]2O[5])(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	C[5,5](N[5]C[5]C)3(O[5]C[5]){4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	117.3000	0.000	1	117.3000	0.000	1	117.3000	0.000	1	117.3000	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]C){4|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	116.0250	0.000	1	116.0250	0.000	1	116.0250	0.000	1	118.7675	15.043	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:3:3:	3:1:1:1:	C[5,5]-4:S[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C)	C(N[5]C[5,5]S[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(S[5]C[5,6a]OO)(CH3){1|I<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5]I)(N[5]S[5]C){2|H<1>,2|O<1>,5|C<3>}	C(N[5]C[5,5]S[5])(H)3	121.5100	0.000	1	121.5100	0.000	1	121.5100	0.000	1	118.7675	15.043	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:3:3:	3:3:1:1:	C[5,5]-4:C[5,5]-4:C-4:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H)	C(C[6a]C[6a]2)(N[5]C[5,5]2)(H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]HH){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[5]C[5,5]2)(H)2	119.5250	0.404	2	119.5250	0.164	2	119.5250	0.164	2	119.5250	0.164	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:N[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)	C[5,5](C[5]C[5,6a]O)2(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5]C[5,6a]O)2(N[5]C[5]C)2{2|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(CH3)(H)2	115.8104	0.521	9	115.8104	0.271	9	115.8104	0.271	9	115.8104	0.271	9	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5,6]C[5]C[6]2)(N[5]C[5]C){1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.3875	0.770	2	116.3875	0.593	2	116.3875	0.593	2	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.1470	0.000	1	116.1907	0.109	3	116.1603	0.077	4	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|N<2>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CH)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.2125	0.465	2	116.1907	0.109	3	116.1603	0.077	4	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[5]CN)(N[5]C[5]C){1|N<2>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.0690	0.000	1	116.0690	0.000	1	116.1603	0.077	4	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.0290	0.161	2	115.9797	0.094	6	115.9797	0.094	6	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.9420	0.000	1	115.9797	0.094	6	115.9797	0.094	6	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){1|O<1>,6|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.7140	0.276	2	115.9797	0.094	6	115.9797	0.094	6	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5,5]C[5]3)(N[5]C[5]C){2|O<1>,4|H<1>,6|C<3>}	C(N[5]C[5,5]C[5])(H)3	116.4500	0.000	1	115.9797	0.094	6	115.9797	0.094	6	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CC)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CC)(N[5]C[5]C){4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.8220	0.000	1	116.8220	0.000	1	115.9897	0.485	6	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.9350	0.000	1	115.8232	0.398	5	115.9897	0.485	6	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.7952	0.725	4	115.8232	0.398	5	115.9897	0.485	6	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:C[5,5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5]C[5,6a]O)2(C[5,5]C[5]3)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)2(C[5,5]C[5]3)(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.7029	0.577	8	116.7029	0.333	8	116.7029	0.333	8	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C){3|C<3>,3|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.6720	0.471	2	116.8223	0.179	3	116.9677	0.204	4	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CC)(N[5]C[5]C){2|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	117.1230	0.000	1	116.8223	0.179	3	116.9677	0.204	4	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5]C[5,6a]O)2(C[5]C[5]CH)(N[5]C[5]C){1|S<4>,2|C<3>,3|H<1>}	C(N[5]C[5,5]C[5])(H)3	117.4040	0.000	1	117.4040	0.000	1	116.9677	0.204	4	116.3575	0.377	30	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(C[5]C[5]CH)(N[5]C[5]C){1|S<4>,3|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(CH3)(H)2	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH)	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,5](C[5,5a]N[5,5a]N[5a])(C[5,5]C[5]2H)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	114.7090	0.000	1	114.7090	0.000	1	114.7090	0.000	1	112.5203	2.146	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<2>,1|C<3>,1|C<4>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	111.5080	0.000	1	111.5080	0.000	1	112.0826	1.246	5	112.5203	2.146	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	111.6190	0.000	1	111.6190	0.000	1	112.0826	1.246	5	112.5203	2.146	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<2>,1|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	113.7520	0.000	1	112.4287	2.039	3	112.0826	1.246	5	112.5203	2.146	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	112.6190	0.000	1	112.4287	2.039	3	112.0826	1.246	5	112.5203	2.146	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	110.9150	0.000	1	112.4287	2.039	3	112.0826	1.246	5	112.5203	2.146	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:1:	3:3:3:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	114.3285	3.217	2	114.3285	10.347	2	114.3285	10.347	2	114.3285	10.347	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:2:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-3:C[5]-4:N[5]-3:O[5]-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,2|C<4>,6|H<1>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	117.6060	0.000	1	117.7975	0.073	2	117.7975	0.073	2	117.7975	0.073	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:2:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-3:C[5]-4:N[5]-3:O[5]-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH)	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,3|C<4>,5|H<1>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	117.9890	0.000	1	117.7975	0.073	2	117.7975	0.073	2	117.7975	0.073	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,6]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,6]HH)(CH3){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6]C[5]N[5])(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<4>,3|H<1>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.1430	0.000	1	115.1430	0.000	1	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.2212	1.159	4	115.2212	1.343	4	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.0330	0.000	1	115.0330	0.000	1	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<2>,4|H<1>,6|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.1030	0.000	1	115.0017	0.322	3	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){1|N<2>,1|N<3>,5|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.3900	0.000	1	115.0017	0.322	3	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){5|H<1>,7|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.5120	0.000	1	115.0017	0.322	3	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.3874	0.813	10	115.2921	0.694	11	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<2>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.3390	0.000	1	115.2921	0.694	11	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.7673	0.515	4	115.2134	0.273	29	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.5990	0.000	1	115.2134	0.273	29	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.0301	0.476	20	115.2134	0.273	29	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2S[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,5|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.4800	0.266	4	115.2134	0.273	29	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.1890	0.000	1	115.6315	0.225	6	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.2460	0.000	1	115.6315	0.225	6	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|O<1>,4|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	116.0740	0.000	1	115.6315	0.225	6	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]3)(C[5]N[5]O)(N[5]C[5]C){2|O<1>,5|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.7600	0.518	3	115.6315	0.225	6	115.2592	0.399	55	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|C<4>,1|O<1>,5|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.9272	0.583	6	116.2606	0.584	11	115.6715	0.504	42	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.5310	1.085	3	116.2606	0.584	11	115.6715	0.504	42	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)(N[5]C[5]C){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.8555	0.432	2	116.2606	0.584	11	115.6715	0.504	42	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.6820	0.000	1	115.4530	0.341	29	115.6715	0.504	42	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.0100	1.117	3	115.4530	0.341	29	115.6715	0.504	42	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,7|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.1172	0.739	6	115.4530	0.341	29	115.6715	0.504	42	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.6338	0.362	11	115.4530	0.341	29	115.6715	0.504	42	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,7|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.2922	0.249	5	115.4530	0.341	29	115.6715	0.504	42	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.4293	0.192	3	115.4530	0.341	29	115.6715	0.504	42	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]2C[5])(C[5]N[5]O)(N[5]C[5]C){6|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.5995	0.213	2	115.5995	0.045	2	115.6715	0.504	42	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrN)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]BrN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.4905	0.019	2	114.4905	0.000	2	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.6470	0.000	1	115.4523	0.758	16	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.6130	0.000	1	115.4523	0.758	16	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.6190	0.516	2	115.4523	0.758	16	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.5640	0.000	1	115.4523	0.758	16	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.2879	0.661	7	115.4523	0.758	16	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.3110	0.000	1	115.4523	0.758	16	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CC)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.2827	1.154	3	115.4523	0.758	16	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.7830	0.000	1	115.5794	0.587	12	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.5610	0.000	1	115.5794	0.587	12	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){2|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.2290	0.000	1	115.5794	0.587	12	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|S<4>,2|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.1830	0.000	1	115.5794	0.587	12	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.7600	0.000	1	115.5794	0.587	12	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.3481	0.727	7	115.5794	0.587	12	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.1750	0.294	4	115.1750	0.086	4	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HN)(C[5]N[5]O)(N[5]C[5]C){3|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.3875	1.094	2	115.3875	1.197	2	115.4068	0.616	36	115.4294	0.514	133	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	3:4:3:3:	3:3:1:1:	C[5,5]-4:C[5,5]-4:C-4:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O)	C(C[6a]C[6a]2)(N[5]C[5,5]2)(H)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5,5]C[5,6a]C[5]2)(CC[6a]HH){2|H<1>,2|N<3>,2|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[5,5]C)(C[5]N[5]O){1|C<4>,2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N[5]C[5,5]2)(H)2	117.2545	0.194	2	117.2545	0.038	2	117.2545	0.038	2	117.2545	0.038	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:2:3:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3)	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.7930	0.536	2	114.7930	0.287	2	114.7930	0.287	2	114.7930	0.287	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:2:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[6a]C[5])(O[5]C[5,5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	114.8360	0.808	3	114.8360	0.652	3	114.8360	0.652	3	114.8360	0.652	3	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]O)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]O)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.7590	0.000	1	116.7590	0.000	1	116.7590	0.000	1	116.0284	0.357	8	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	115.6384	0.298	5	115.6384	0.089	5	115.9240	0.314	7	116.0284	0.357	8	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){3|C<3>,3|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	116.4090	0.000	1	116.4090	0.000	1	115.9240	0.314	7	116.0284	0.357	8	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.8670	0.000	1	116.8670	0.000	1	115.9240	0.314	7	116.0284	0.357	8	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CH)(CC[6a]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	111.2540	0.000	1	111.2540	0.000	1	111.2540	0.000	1	121.9516	35.480	13	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6]-3:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(COO)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH){1|N<3>,3|C<3>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C(N[5]C[5,5]C[5])(COO)(H)2	110.5800	0.000	1	110.5800	0.000	1	110.5800	0.000	1	121.9516	35.480	13	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	113.4080	0.000	1	113.4080	0.000	1	113.4080	0.000	1	121.9516	35.480	13	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]OU)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]OU)(CN[5]HH){1|H<1>,1|N<3>,3|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){2|U<12>,2|C<4>,2|O<2>}	C(N[5]C[5,5]C[5])2(H)2	124.4476	0.517	8	124.4476	0.268	8	125.0129	1.700	10	121.9516	35.480	13	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]YbO)(CN[5]HH)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H)	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]YbO)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]C)2(H){1|Yb<9>,1|O<1>,1|O<2>,2|C<4>}	C(N[5]C[5,5]C[5])2(H)2	127.2740	0.806	2	127.2740	0.650	2	125.0129	1.700	10	121.9516	35.480	13	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,6]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH){1|N<3>,3|C<3>}	C[5,5](C[5,5]C[6a]N[5]O[5])(C[5,6]C[5,6]C[6])(N[5]C[5]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	113.8500	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:2:	3:1:1:1:	C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:S[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]S[5])(C[5,5]C[5,5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a])	C(N[5]C[5,5]2)(H)3	N[5](C[5,5]C[5,5]C[6a]S[5])(C[5,5]C[5,5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5,6a]){1|C<4>,2|H<1>,7|C<3>}	C(N[5]C[5,5]2)(H)3	117.0170	0.000	1	117.0170	0.000	1	117.0170	0.000	1	117.0170	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]O)2(N[5]C[5]C){3|H<1>,7|C<3>}	C(N[5]C[5,5]C[5])(H)3	116.9470	0.000	1	116.9470	0.000	1	116.5627	0.373	4	116.6078	0.611	12	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|H<1>,2|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	116.0430	0.024	2	116.0430	0.001	2	116.5627	0.373	4	116.6078	0.611	12	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,5]C[5]2S[5])(C[5]C[5,6a]O)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|H<1>,1|S<2>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[5]2S[5])(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	117.2180	0.000	1	117.2180	0.000	1	116.5627	0.373	4	116.6078	0.611	12	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]HH)(CH3)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.5080	0.000	1	116.5080	0.000	1	116.5080	0.000	1	116.6078	0.611	12	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|C<4>,1|O<1>,4|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	117.3367	0.901	3	116.9320	0.748	5	116.9320	0.748	5	116.6078	0.611	12	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.0610	0.000	1	116.9320	0.748	5	116.9320	0.748	5	116.6078	0.611	12	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3)	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)2(N[5]C[5]C){1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(H)3	116.5890	0.000	1	116.9320	0.748	5	116.9320	0.748	5	116.6078	0.611	12	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:3:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]C){1|N<3>,3|H<1>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	116.7000	0.000	1	116.7000	0.000	1	116.7000	0.000	1	116.6078	0.611	12	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:3:	3:1:1:1:	C[5]-4:C[5,5]-4:C-4:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5,5]C[5]3)(CH3)	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6a]O)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5]C[5,6]C[6a]H)(C[5,5]C[5]3)(CH3){2|H<1>,2|O<1>,6|C<3>}	C[5,5](C[5]C[5,6]HH)(C[5]C[5,6a]O)2(N[5]C[5]C){1|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.1740	0.000	1	115.1740	0.000	1	115.1740	0.000	1	116.6078	0.611	12	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:N[5]-3:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]HH)	C[5,5](C[5]C[5]CH)(C[5]N[5]S)(N[5]C[5]C)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[5,5](C[5]C[5]CH)(C[5]N[5]S)(N[5]C[5]C)2{2|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	117.6975	0.566	2	117.6975	0.321	2	117.6975	0.321	2	117.6975	0.321	2	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:3:3:4:	3:1:1:1:	C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:N[5]-3:C[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]S[5])(C[5,5]C[5,5]C[5]C)(CH3)	C[5,5](C[5,5]C[5,5]C[5]C)(N[5]C[5,5]C)(C[5]O[5]O)(CH3)	C(N[5]C[5,5]2)(H)3	N[5](C[5,5]C[5,5]C[6a]S[5])(C[5,5]C[5,5]C[5]C)(CH3){1|H<1>,1|O<1>,1|O<2>,6|C<3>}	C[5,5](C[5,5]C[5,5]C[5]C)(N[5]C[5,5]C)(C[5]O[5]O)(CH3){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C(N[5]C[5,5]2)(H)3	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	117.5450	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[3x5]-4:C[3,5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[3,5]N[3,5]C[3]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	112.5910	0.000	1	112.5910	0.000	1	112.5910	0.000	1	113.5440	0.716	3	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH)	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(CCH)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	C(N[5]C[5,5]C[5])(CCH)(H)2	114.2080	0.000	1	114.2080	0.000	1	114.2080	0.000	1	113.5440	0.716	3	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]N[5]CH)(N[5]C[5]C)(H){1|S<4>,6|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	113.8330	0.000	1	113.8330	0.000	1	113.8330	0.000	1	113.5440	0.716	3	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:3:1:	3:3:4:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH){1|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	116.7500	0.000	1	116.7500	0.000	1	116.7500	0.000	1	116.7500	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:3:1:	3:4:4:1:	C[5,5]-4:S[5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(CCCH)	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H)	C(N[5]C[5,5]S[5])(CH3)2(H)	N[5](C[5,5]C[5,5]C[5]H)(S[5]N[5]OO)(CCCH){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]N[5]H)(C[5]C[5,6a]HH)(N[5]S[5]C)(H){2|O<1>,3|C<3>}	C(N[5]C[5,5]S[5])(CH3)2(H)	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	117.0210	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2H)(CCHH)	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2H)(CCHH){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(C[5]C[5]C)(N[5]C[5]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	120.6903	0.092	3	120.6903	0.009	3	120.6903	0.009	3	119.0128	4.259	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	C[5,5](C[5]C[5]HH)2(C[5]C[5]H)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<4>,6|H<1>}	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	115.6530	0.000	1	115.6530	0.000	1	117.3353	2.196	3	119.0128	4.259	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]C[5]H)(N[5]C[5]C){2|C<3>,2|O<2>,5|H<1>}	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	118.1765	0.384	2	118.1765	0.147	2	117.3353	2.196	3	119.0128	4.259	6	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:4:3:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC[6a]HH)	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,1|C<3>,2|C<4>,6|H<1>}	C[5,5](C[5]C[5]CH)2(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<1>,5|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	119.2840	0.000	1	119.2840	0.000	1	119.2840	0.000	1	119.2840	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:4:3:	3:3:4:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH)	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(C[5]C[5]HH)2(N[5]C[5]C){2|C<4>,7|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	122.4220	0.000	1	122.4220	0.000	1	122.4220	0.000	1	122.4220	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,5]	C	4:4:4:	4:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	C[5,5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(N[5]C[5]C)	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(C[5]C[5]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	118.3010	0.000	1	118.3010	0.000	1	118.3010	0.000	1	118.3010	0.000	1	117.9361	10.841	409	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6,6]C[5,6a])(H)3	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[6]2)(C[3x6]C[6,6]N[6,6]H)(N[5]C[5,6a]C)(H){3|C<3>,3|C<4>,5|H<1>}	C(N[5]C[5,6,6]C[5,6a])(H)3	117.0810	0.000	1	117.0810	0.000	1	117.0810	0.000	1	117.0810	0.000	1	114.8315	13.905	4	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6,6]-4:C[5,6a]-3:C-4:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(H)2	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]O[6,6]H)(N[5]C[5,6a]C)(H){1|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5,6,6]C[5,6a])(C[6a]C[6a]2)(H)2	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	114.8315	13.905	4	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6,6]-4:C[5]-4:C-4:	C[5,4x6]-4:C[4x6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(CC[6a]HH)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H)	C(N[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(CC[6a]HH){1|C<3>,5|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6])(N[5]C[5]C)(H){1|O<2>,5|H<1>,7|C<4>}	C(N[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	110.9330	0.000	1	110.9330	0.000	1	110.9330	0.000	1	110.9330	0.000	1	114.8315	13.905	4	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6,6]-4:C[5]-4:C-4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H)	C(N[5]C[5,6,6]C[5])(H)3	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[6,6,6a]C[5,6,6]H)(C[6,6]C[3x6]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5,6,6]C[5])(H)3	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	112.4860	0.000	1	114.8315	13.905	4	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	3:2:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	N[5]-3:O[6]-2:S[5]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3)	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[6]S[5])(CH3){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](N[5]C[5,6a]C)(O[6]C[6,6a])(S[5]C[5,6a])(C[6]N[6]C){4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	117.5590	0.000	1	117.5590	0.000	1	117.5590	0.000	1	117.5590	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6])(C[6]C[6]H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	120.3045	0.501	2	120.3045	0.251	2	119.7782	1.537	20	119.7782	1.537	20	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,2|C<4>,5|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	117.7977	2.284	3	119.3567	2.153	11	119.7782	1.537	20	119.7782	1.537	20	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	119.9414	0.391	8	119.3567	2.153	11	119.7782	1.537	20	119.7782	1.537	20	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]C){4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	119.0770	0.000	1	119.0770	0.000	1	119.7782	1.537	20	119.7782	1.537	20	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]H){4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	120.6380	0.580	4	120.6380	0.336	4	119.7782	1.537	20	119.7782	1.537	20	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CH3){1|H<1>,1|N<2>,1|O<2>,2|C<4>,3|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]N[6]O){4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	120.2015	0.305	2	120.2015	0.093	2	119.7782	1.537	20	119.7782	1.537	20	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:4:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(CCHH)(H)2	120.0403	0.666	3	120.0403	0.443	3	119.9110	0.362	4	119.9110	0.362	4	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:3:	3:4:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H)	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(CHHO)(H)2	119.5230	0.000	1	119.5230	0.000	1	119.9110	0.362	4	119.9110	0.362	4	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:2:4:	3:4:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-4:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH)	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH)	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]O[6])(CCHH){3|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(CH3)(H)2	121.5150	0.000	1	121.5150	0.000	1	121.5150	0.000	1	121.5150	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6,6]C)(N[5]C[5,6a]C)(C[6]C[6]N)(H){1|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	117.5310	0.000	2	117.5310	0.000	2	117.5310	0.000	2	116.7956	1.680	5	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|C<4>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	114.8810	0.000	1	114.8810	0.000	1	116.3053	2.460	3	116.7956	1.680	5	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]H)(H){1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	116.0490	0.000	1	116.0490	0.000	1	116.3053	2.460	3	116.7956	1.680	5	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CH3){1|H<1>,1|S<4>,2|C<4>,3|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(N[6]C[6,6a]S)(H){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	117.9860	0.000	1	117.9860	0.000	1	116.3053	2.460	3	116.7956	1.680	5	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:3:1:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[6]H)(CC[6a]HH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,1|S<4>,2|C<3>}	C[5,6](C[5,6]C[5,6a]O[6]C)(N[5]C[5,6a]C)(N[6]N[6,6]S)(H){2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	116.3653	1.303	3	116.3653	1.697	3	116.3653	1.697	3	116.3653	1.697	3	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(CH3){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6]C[6]CH)(H){1|Cl<1>,1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	116.5080	0.000	1	116.5080	0.000	1	116.5080	0.000	1	116.5080	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	3:4:4:	4:3:4:4:	3:3:1:1:	C[5,6a]-3:C[5,6]-4:C-4:	C[5]-4:N[5]-3:C[6]-4:C[6]-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH)	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]2)(CC[6a]HH){1|C<4>,3|C<3>,7|H<1>}	C[5,6](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(C[6]C[6]HH)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	120.5695	0.254	2	120.5695	0.064	2	120.5695	0.064	2	120.5695	0.064	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CH3){1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]CH)(N[5]O[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5,6]O[5])(H)3	115.9020	0.000	1	115.9020	0.000	1	114.3670	1.091	7	114.3670	1.091	7	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C(N[5]C[5,6]O[5])(H)3	114.4370	0.813	4	114.1112	0.759	6	114.3670	1.091	7	114.3670	1.091	7	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]O[5]C)(H){1|S<2>,3|C<3>,4|H<1>}	C(N[5]C[5,6]O[5])(H)3	113.4595	0.735	2	114.1112	0.759	6	114.3670	1.091	7	114.3670	1.091	7	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	3:4:3:1:	3:4:4:4:	C[5,6]-4:O[5]-2:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(CH3)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5,6])(CC3){3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C(N[5]C[5,6]O[5])(CH3)3	117.7810	0.000	1	117.7810	0.000	1	117.7810	0.000	1	117.7810	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6,6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(O[5]C[5])(CH3){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]O[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C(N[5]C[5,6]O[5])(H)3	113.6190	0.000	1	113.6190	0.000	1	113.6190	0.000	1	113.6190	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	4:3:3:4:	3:3:1:1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC[6a]HH)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3)	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]C)(O[5]C[5,6])(CC[6a]HH){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]O[5]C)(CH3){3|C<4>}	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	114.7020	0.000	1	114.7020	0.000	1	114.7020	0.000	1	114.7020	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]2H)(O[5]C[5])(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5,6]O[5])(H)3	112.3140	0.000	1	112.3140	0.000	1	112.3140	0.000	1	112.3974	0.437	9	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(N[5]C[5,6]O[5])(H)3	112.2160	0.445	3	112.2160	0.198	3	112.2288	0.726	5	112.3974	0.437	9	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]O[5]C)(H){1|C<3>,1|N<3>,5|H<1>}	C(N[5]C[5,6]O[5])(H)3	111.1290	0.000	1	111.1290	0.000	1	112.2288	0.726	5	112.3974	0.437	9	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:O[5]-2:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(O[5]C[5])(CH3){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]O[5]C)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C(N[5]C[5,6]O[5])(H)3	113.3670	0.000	1	113.3670	0.000	1	112.2288	0.726	5	112.3974	0.437	9	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:O[5]-2:C-4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(CH3)	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(O[5]C[5])(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5]C[6]H)(N[5]O[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C(N[5]C[5,6]O[5])(H)3	112.7063	0.282	3	112.7063	0.079	3	112.7063	0.079	3	112.3974	0.437	9	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:2:4:	4:4:4:3:	3:1:1:1:	C[5,6]-4:O[5]-2:C-4:	C[5,5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,5]C[6]2)(O[5]C[5,5])(CH3)	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)2(N[5]O[5]C)	C(N[5]C[5,6]O[5])(H)3	N[5](C[5,6]C[5,5]C[6]2)(O[5]C[5,5])(CH3){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(C[6]C[6]HH)2(N[5]O[5]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C(N[5]C[5,6]O[5])(H)3	115.3260	0.000	1	115.3260	0.000	1	115.3260	0.000	1	115.3260	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:2:2:3:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	N[5]-3:Se[5]-2:Se[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]Se[5]Se[6]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,6](N[5]C[5,6a]C)(Se[5]C[5,6a])(Se[6]C[6,6a])(C[6]N[6]O){1|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5,6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6a]N[6]C)(N[5]C[5,6a]C)(H){1|H<1>,1|O<2>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	115.8850	0.000	1	115.8850	0.000	1	115.8850	0.000	1	115.8850	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	3:4:3:4:	3:3:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(CH3)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6,6a]C[5,6]C)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(CH3){2|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:2:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C(N[5]C[5,6]C[5])(H)3	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:2:3:1:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[6]-2:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6])(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C(N[5]C[5,6]C[5])(CH3)(H)2	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	123.0590	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:2:3:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:N[6]-2:N[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6a]N[6])(C[5]N[5]O)(CH3){1|C<4>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[6a]N[5]N[6])(C[6a]C[6a]2)(N[6]C[5,6])(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|H<1>,4|C<3>}	C(N[5]C[5,6]C[5])(H)3	119.8255	0.978	2	119.8255	0.956	2	119.8255	0.956	2	119.8255	0.956	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|C<4>,1|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	116.0270	0.000	1	116.0270	0.000	1	117.2810	3.145	2	118.3325	5.052	4	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:C[5a,6]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5a,6]C[5a,6]N[5a])(N[5]C[5,6a]C)(H){1|H<1>,6|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	118.5350	0.000	1	118.5350	0.000	1	117.2810	3.145	2	118.3325	5.052	4	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:N[5,6]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3)	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CH3){1|C<3>,1|H<1>,3|N<3>}	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(H)3	117.4360	0.000	1	117.4360	0.000	1	117.4360	0.000	1	118.3325	5.052	4	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3)	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5,6]C[5])(H)3	121.3320	0.000	1	121.3320	0.000	1	121.3320	0.000	1	118.3325	5.052	4	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,5,6]-4:N[5,6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CC[6a]HH)	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]N[5,6]H)(C[5]C[5]H)(CC[6a]HH){1|C<3>,1|H<1>,3|N<3>}	C[5,6](C[5,5,6]N[5,5]N[5,6]N[5])(N[5,6]C[6,6a]C[5])(N[5]C[5]C)(H){1|C<4>,2|H<1>,6|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	116.4550	0.000	1	116.4550	0.000	1	116.4550	0.000	1	116.4985	0.004	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]C)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	116.5420	0.000	1	116.5420	0.000	1	116.5420	0.000	1	116.4985	0.004	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5,6]N[5]H)(N[5]C[5]C)(N[6]N[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	121.1590	0.000	1	121.1590	0.000	1	121.1590	0.000	1	121.1135	0.004	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]O)(CCHH){1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]N[5,6]H)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5,6]C[5])(CH3)(H)2	121.0680	0.000	1	121.0680	0.000	1	121.0680	0.000	1	121.1135	0.004	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:2:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:N[5]-3:C[6a]-3:O[6]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6])	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,6]C[6a]O[6])(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,3|C<4>,4|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,4|C<3>,6|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	119.9230	0.000	1	119.9230	0.000	1	119.9230	0.000	1	119.9230	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5,6a]C[5,6a]C[6a])(CH3){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6a]C[6]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(C[6]C[6]HH){4|H<1>,6|C<3>}	C(N[5]C[5,6a]C[5,6])(H)3	118.6480	0.000	1	118.6480	0.000	1	118.6480	0.000	1	118.6480	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	116.5312	1.003	6	116.8181	1.414	7	116.8181	1.414	7	116.8181	1.414	7	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(N[5]C[5,6a]C)(C[6]C[6]CO)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	118.5400	0.000	1	116.8181	1.414	7	116.8181	1.414	7	116.8181	1.414	7	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H)	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5,6a]C[5,6a]C[6a])(CC[6a]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5,6])(C[6a]C[6a]2)(H)2	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	119.4990	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[5,6a]-3:C-4:	C[5,5,6]-4:C[6,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3)	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5,6])(H)3	N[5](C[5,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(CH3){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]C[5,6a]C[5])(C[6,6]C[6,6]O[6]C)(N[5]C[5,6a]C)(H){1|N<3>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5,6])(H)3	117.6715	0.811	2	117.6715	0.658	2	117.6715	0.658	2	117.6715	0.658	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	121.4595	1.157	4	121.4595	1.338	4	121.9482	2.198	5	121.9698	3.239	25	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]O)(CC[6a]HH){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<2>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	123.9030	0.000	1	123.9030	0.000	1	121.9482	2.198	5	121.9698	3.239	25	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])2(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]O)(CN[5]HH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])2(H)2	122.3417	1.528	18	122.3417	2.334	18	122.3417	2.334	18	121.9698	3.239	25	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:P[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]Cl)(CC[6a]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]Cl)(CC[6a]HH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Cl<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	118.6760	2.256	2	118.6760	5.088	2	118.6760	5.088	2	121.9698	3.239	25	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:3:4:	4:4:3:3:	3:3:1:1:	C[5,6]-4:C[5]-3:C-4:	C[5,6]-4:C[6]-4:N[5]-3:C-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(CNO)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]O)(CC[6a]HH){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(CNO){1|H<1>,1|O<1>,2|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	122.0120	0.000	1	122.0120	0.000	1	122.0120	0.000	1	122.0120	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:2:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C-4:O[5]-2:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(CC[6a]HH)(O[5]C[5])	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H)	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HO)(N[5]O[5]C)(H){1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5,6]O[5])(C[6a]C[6a]2)(H)2	112.8250	1.372	3	112.8250	1.881	3	112.8250	1.881	3	112.8250	1.881	3	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C(N[5]C[5,6]C[5])(H)3	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(H)3	115.0740	0.000	1	114.4972	0.163	5	115.1459	1.192	12	115.1459	1.192	12	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(H)3	114.2515	0.252	2	114.4972	0.163	5	115.1459	1.192	12	115.1459	1.192	12	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|S<2>,3|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(H)3	114.1990	0.000	1	114.4972	0.163	5	115.1459	1.192	12	115.1459	1.192	12	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(H)3	114.7100	0.000	1	114.4972	0.163	5	115.1459	1.192	12	115.1459	1.192	12	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(H)3	114.2925	0.375	2	114.2925	0.141	2	115.1459	1.192	12	115.1459	1.192	12	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]C)(N[5]C[5]C)(H){1|O<2>,4|C<3>,5|H<1>}	C(N[5]C[5,6]C[5])(H)3	116.1360	0.983	5	116.1360	0.965	5	115.1459	1.192	12	115.1459	1.192	12	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	113.2560	0.000	1	113.2560	0.000	1	113.2560	0.000	1	112.8785	0.285	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	112.5010	0.000	1	112.5010	0.000	1	112.5010	0.000	1	112.8785	0.285	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|O<2>,3|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(CH3)(H)2	116.1555	0.368	2	116.1555	0.136	2	116.1555	0.136	2	116.1555	0.136	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:2:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	118.0000	1.219	2	118.0000	1.486	2	118.0000	1.486	2	118.0000	1.486	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:3:2:3:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5]-4:N[5]-3:O[6]-2:C[6]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]Ru)(C[5,6]C[5]C[6]O[6])(CH3)	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H)	C(N[5]C[5,6]2)(H)3	N[5](C[5,6]C[5,6]C[6]Ru)(C[5,6]C[5]C[6]O[6])(CH3){2|C<3>,2|H<1>,4|C<4>}	C[5,6](C[5]C[5,6]CC)(N[5]C[5,6]C)(O[6]C[6,6a])(C[6]C[6]H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6]2)(H)3	119.9200	0.387	2	119.9200	0.150	2	119.9200	0.150	2	119.9200	0.150	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[5,6]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]O)(C[5,6]C[5]C[6])(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(H)3	113.4910	0.926	2	113.4910	0.858	2	113.4910	0.858	2	113.4910	0.858	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(CCH)(H)2	112.2340	0.000	1	112.6175	0.294	2	112.6175	0.294	2	112.1047	0.604	4	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]C)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C(N[5]C[5,6]C[5])(CCH)(H)2	113.0010	0.000	1	112.6175	0.294	2	112.6175	0.294	2	112.1047	0.604	4	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(CC[6a]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]C)(H){1|N<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	111.5920	0.683	2	111.5920	0.467	2	111.5920	0.467	2	112.1047	0.604	4	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:3:3:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,7|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	116.2765	0.859	2	116.2765	0.738	2	116.2765	0.738	2	116.2765	0.738	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH){1|N<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)(H){1|C<3>,1|N<3>,2|C<4>,8|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	111.8730	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[5,6]C[6]H)(CH3)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H)	C(N[5]C[5,6]2)(H)3	N[5](C[5,6]C[5,6]C[6]Cr)(C[5,6]C[5,6]C[6]H)(CH3){4|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(C[6]C[6]HH)(H){1|Cr<9>,3|C<4>,4|H<1>}	C(N[5]C[5,6]2)(H)3	120.0595	1.463	2	120.0595	2.140	2	120.0595	2.140	2	120.0595	2.140	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,3|O<2>,4|H<1>}	C(N[5]C[5,6]C[5])(H)3	111.6830	0.946	2	111.6830	0.895	2	111.6830	0.895	2	116.9251	4.289	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]BrH)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	C(N[5]C[5,6]C[5])(H)3	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	116.9251	4.289	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C(N[5]C[5,6]C[5])(H)3	113.3750	0.000	1	113.3750	0.000	1	113.3750	0.000	1	116.9251	4.289	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3){1|Fe<10>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(H)3	117.0199	1.314	14	117.1148	1.304	28	117.3844	2.327	39	116.9251	4.289	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[5]N[5]O)(CH3){1|Fe<10>,3|H<1>,5|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<2>,3|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(H)3	117.2097	0.981	14	117.1148	1.304	28	117.3844	2.327	39	116.9251	4.289	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]N[5]B)(CH3)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]C[6a]N[5]B)(CH3){2|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|B<4>,1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(H)3	115.7220	0.556	4	115.7220	0.309	4	117.3844	2.327	39	116.9251	4.289	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CH3){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(H)3	119.4127	1.317	7	119.4127	1.734	7	117.3844	2.327	39	116.9251	4.289	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	C(C[6a]C[6a]2)(N[5]C[5,6]2)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(CC[6a]HH){4|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,6|C<4>}	C(C[6a]C[6a]2)(N[5]C[5,6]2)(H)2	116.3805	4.090	4	116.3805	16.731	4	116.3805	16.731	4	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(CC[6a]HH)	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	C(C[6a]C[6a]2)(N[5]C[5,6]2)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(CC[6a]HH){4|H<1>,6|C<4>}	C[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H){1|N<3>,2|H<1>,3|C<4>}	C(C[6a]C[6a]2)(N[5]C[5,6]2)(H)2	117.8605	1.270	4	117.8605	1.613	4	117.8605	1.613	4	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCI)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|N<3>,3|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(CCI)(H)2	115.8020	0.000	1	115.8020	0.000	1	115.8020	0.000	1	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<1>,3|C<3>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	110.0030	0.000	1	110.0030	0.000	1	110.0030	0.000	1	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH){3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CCH)(H)2	112.5550	0.000	1	112.5550	0.000	1	113.1765	0.773	2	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C(N[5]C[5,6]C[5])(CCH)(H)2	113.7980	0.000	1	113.7980	0.000	1	113.1765	0.773	2	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	114.3910	0.000	1	114.3910	0.000	1	114.4723	2.260	27	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){3|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	114.9900	0.956	4	114.9900	0.913	4	114.4723	2.260	27	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(CC[6a]HH){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	115.3930	0.000	1	115.3930	0.000	1	114.4723	2.260	27	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	114.3338	1.639	21	114.3338	2.685	21	114.4723	2.260	27	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	118.8745	1.217	2	118.8745	1.481	2	118.8745	1.481	2	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]PdO)(CC[6a]HH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]PdO)(CC[6a]HH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|Pd<5>,1|O<2>,2|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(C[6a]C[6a]2)(H)2	118.0565	2.819	2	118.0565	7.948	2	118.0565	7.948	2	115.2032	5.978	43	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]CH)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	115.6557	0.670	4	115.6557	0.449	4	115.4351	0.749	8	115.8021	1.181	10	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	115.6280	0.000	1	115.6280	0.000	1	115.4351	0.749	8	115.8021	1.181	10	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|S<4>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H){1|C<4>,1|S<4>,7|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	116.3100	0.000	1	116.3100	0.000	1	115.4351	0.749	8	115.8021	1.181	10	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|W<7>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C(N[5]C[5,6]C[5])(CH3)(H)2	113.7540	0.000	1	113.7540	0.000	1	115.4351	0.749	8	115.8021	1.181	10	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	115.1660	0.000	1	115.1660	0.000	1	115.4351	0.749	8	115.8021	1.181	10	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH){1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	117.2500	0.000	1	117.2500	0.000	1	117.2500	0.000	1	115.8021	1.181	10	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(CC3)(H)2	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]CO)(CCHH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|O<1>,3|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(CC3)(H)2	117.2900	0.000	1	117.2900	0.000	1	117.2900	0.000	1	115.8021	1.181	10	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	117.1790	0.000	1	117.1790	0.000	1	117.1790	0.000	1	120.0439	9.108	9	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:4:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]2O)(CCCH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]2O)(CCCH){1|C<3>,3|H<1>,4|C<4>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(CH3)2(H)	123.1275	0.501	2	123.1275	0.251	2	120.4020	9.091	8	120.0439	9.108	9	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:1:	3:4:4:1:	C[5,6]-4:P[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H)	C(N[5]C[5,6]P[5])(CH3)2(H)	N[5](C[5,6]C[5,6]C[6]H)(P[5]N[5]NO)(CCCH){3|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]P[5]C)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]P[5])(CH3)2(H)	119.4935	2.952	6	119.4935	8.715	6	120.4020	9.091	8	120.0439	9.108	9	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:2:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:O-2:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(CCHH)	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH)	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]HH)(N[5]C[5]C)(OH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	115.1000	0.604	2	115.1000	0.365	2	115.1000	0.365	2	115.1000	0.365	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:C[6]-4:C[6]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HO)(C[6]C[6]O)(N[5]C[5]C){1|C<3>,2|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	119.8650	0.000	1	119.8650	0.000	1	119.8650	0.000	1	119.2700	0.708	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){2|C<4>,6|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]H)(N[5]C[5]C){1|C<3>,1|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	118.6750	0.000	1	118.6750	0.000	1	118.6750	0.000	1	119.2700	0.708	2	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:3:4:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(CCHH)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)(CCHH){3|C<4>,6|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	115.7340	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:4:3:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(CC[6a]HH)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(CC[6a]HH){1|C<2>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	118.9450	0.000	1	118.9450	0.000	1	118.9450	0.000	1	118.9450	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5,6]	C	4:4:4:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C)	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){2|C<4>,8|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)2(N[5]C[5]C){1|C<3>,1|C<4>,7|H<1>}	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	120.3320	0.000	1	120.3320	0.000	1	120.3320	0.000	1	120.3320	0.000	1	117.2168	10.003	257	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:2:3:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-2:C[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3)	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]N[5]H)(CH3){1|H<1>,2|C<3>,2|N<3>}	C[5](N[5]C[5,6a]C)(N[5]C[5,6a])(C[5]N[5]2)(H){1|Rh<6>,1|C<4>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:2:4:4:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH)	C(N[5]C[5,6a]C[5])(CCH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CCHH){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCFF)(CCHH){2|C<3>}	C(N[5]C[5,6a]C[5])(CCH)(H)2	122.8300	0.000	1	122.8300	0.000	1	122.8300	0.000	1	122.7605	0.010	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:2:4:4:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH)	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]O[5]CC)(CC[6a]HH){1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)(O[5]C[5,6a])(CCHH)(CFFH){2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	122.6910	0.000	1	122.6910	0.000	1	122.6910	0.000	1	122.7605	0.010	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:1:1:	3:3:4:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5,6]O)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,6]C[5,6]N[6])(C[5]C[5]HH)(CC[6a]CH){1|N<3>,1|O<1>,2|C<4>}	C[5](C[5]C[5,6]O)(N[5]C[5,6]C)(H)2{2|N<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CH3)(H)	118.3310	0.000	1	118.3310	0.000	1	118.3310	0.000	1	118.3310	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3)	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5])(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CH)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2(CB[6,6]C[5])(H){2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	113.9295	0.422	2	113.9295	0.178	2	113.9295	0.178	2	113.4953	0.655	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:1:	3:1:1:1:	N[5]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:N-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]HN)(CH3){3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(NHH)(H){3|C<3>}	C(N[5]C[5]N[5])(H)3	112.6270	0.000	1	112.6270	0.000	1	112.6270	0.000	1	113.4953	0.655	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:3:1:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH)	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(CN[5a]HH){1|C<4>,1|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C)2(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	118.8000	0.000	1	118.8000	0.000	1	118.8000	0.000	1	118.8000	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:4:1:	3:1:1:1:	N[5]-3:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H)	C(N[5]C[5]N[5])(H)3	N[5](N[5]C[6a]N[5])(C[5]C[5]CH)(CH3){3|C<3>}	C[5](C[5]C[6a]N[5])(N[5]N[5]C)(CCl3)(H){3|C<3>}	C(N[5]C[5]N[5])(H)3	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	111.7260	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:4:1:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	C[5,5a]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3)	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H)	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]N[5,5a]C[6a])(C[5]C[5,5a]CH)(CC3){4|C<3>}	C[5](C[5,5a]N[5,5a]C[5a])(N[5]B[5]C)(CC3)(H){1|H<1>,3|C<3>}	C(N[5]B[5]C[5])(CH3)3	122.9930	0.000	1	122.9930	0.000	1	122.9930	0.000	1	122.9930	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:4:4:	3:1:1:1:	C[5,6]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3)	C[5](N[5]C[5,6]C)2(CH3)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6])(C[5]N[5]CC)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5,6]C)2(CH3)2{2|C<3>}	C(N[5]C[5,6]C[5])(H)3	119.5640	0.000	1	119.5640	0.000	1	119.5640	0.000	1	119.5640	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:3:4:4:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH)	C[5](N[5]C[5,6a]C)2(CH3)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]CC)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,6a]C)2(CH3)2{2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	118.1600	0.000	1	118.1600	0.000	1	118.1600	0.000	1	118.1600	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	3:4:3:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(CH3){3|H<1>,4|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H){1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	117.2840	0.000	1	117.2840	0.000	1	117.2840	0.000	1	117.2840	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	B[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C(N[5]B[5]C[5])(H)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]B[5]C[5])(H)3	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	115.1868	8.186	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	112.9470	0.000	1	112.9470	0.000	1	115.6805	14.944	2	115.1868	8.186	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]N[5,6a]C[6a])(C[5]C[5]HH)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]N[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(H)3	118.4140	0.000	1	118.4140	0.000	1	115.6805	14.944	2	115.1868	8.186	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]N[5])(C[5]C[5]HH)(CH3){1|C<3>,2|H<1>,2|N<3>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	C(N[5]C[5]2)(H)3	112.5730	1.369	2	112.5730	1.874	2	114.3833	10.769	3	115.1868	8.186	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:1:1:1:	C[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5]2)(H)3	118.0040	0.000	1	118.0040	0.000	1	114.3833	10.769	3	115.1868	8.186	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])2(H)2	N[5](C[5,5]N[5,5]N[5])(C[5]C[5]HH)(CN[5]HH){2|C<4>,2|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<2>}	C(N[5]C[5,5]C[5])2(H)2	119.7320	0.000	1	119.7320	0.000	1	119.7320	0.000	1	118.2110	3.802	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	118.0690	2.891	2	118.0690	8.356	2	118.3657	4.442	3	118.2110	3.802	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|N<2>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	118.9590	0.000	1	118.9590	0.000	1	118.3657	4.442	3	118.2110	3.802	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	116.2260	0.000	1	116.2260	0.000	1	116.2260	0.000	1	118.2110	3.802	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:2:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-2:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)(H)	117.8125	1.549	2	117.8125	2.400	2	117.8125	2.400	2	117.8125	2.400	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:4:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(H)	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	113.8870	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:3:4:2:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:C-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(CC[6a]CC){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(H)2{2|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCHH)(CN)	123.3240	0.000	1	123.3240	0.000	1	123.3240	0.000	1	123.3240	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CHOO)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CCHH){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5,6]C[5])(CHOO)(H)2	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	117.7943	1.534	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	N[5](C[5,6]N[5,6]C[6])(C[5]C[5]HH)(CC[5]HH){1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5,6]C[5])(C[5]S[5]2H)(H)2	118.1220	1.557	2	118.1220	2.424	2	118.1220	2.424	2	117.7943	1.534	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	P[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5x3,5x5,20x6]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<6>}	C(N[5]C[5]P[5])(CH3)2(H)	118.6617	0.309	4	118.6617	0.095	4	118.7038	0.810	6	118.7038	0.810	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:1:	P[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[6a]N[5])(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]C[5]P[5])(CH3)2(H)	118.7880	1.935	2	118.7880	3.743	2	118.7038	0.810	6	118.7038	0.810	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:4:	B[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3)	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2	C(N[5]B[5]C[5])(CH3)3	N[5](B[5]C[6a]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]B[5]C)(H)2{1|C<3>,1|C<4>}	C(N[5]B[5]C[5])(CH3)3	116.8220	0.444	3	116.8220	0.198	3	116.8220	0.198	3	116.7523	2.233	8	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:4:	C[5,6a]-3:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2	C(N[5]C[5,6a]C[5])(CH3)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]HH)(CC3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5,6a]C)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C(N[5]C[5,6a]C[5])(CH3)3	117.5090	0.578	2	117.5090	0.335	2	117.5090	0.335	2	116.7523	2.233	8	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:1:1:	3:4:4:4:	P[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5])(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>}	C(N[5]C[5]P[5])(CH3)3	116.1780	2.525	3	116.1780	6.376	3	116.1780	6.376	3	116.7523	2.233	8	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3)	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(COO)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]CH)(CH3){1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6a]C[6,6a]C[6])(N[5]C[5,6a]C)(COO)(H){1|C<4>,5|C<3>}	C(N[5]C[5,6a]C[5])(H)3	115.2830	0.000	1	115.2830	0.000	1	115.2830	0.000	1	115.4893	0.035	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	115.5400	0.000	1	115.5400	0.000	1	115.5925	0.006	2	115.4893	0.035	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(CH3){2|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,5|C<3>}	C(N[5]C[5,6a]C[5])(H)3	115.6450	0.000	1	115.6450	0.000	1	115.5925	0.006	2	115.4893	0.035	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:3:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:B[5]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]B[5]C[5])(CH3){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(C[6a]C[6a]2)(B[5]O[5]2){2|C<4>,2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(H)3	121.7850	0.000	1	121.7850	0.000	1	121.7850	0.000	1	120.8763	0.953	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:3:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3)	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CH3){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[5,6a]C[6a]C)(N[5]C[5,6a]C)(C[6a]C[6a]2)(CHN){2|H<1>,6|C<3>}	C(N[5]C[5,6a]C[5])(H)3	119.8440	0.000	1	119.8440	0.000	1	119.8440	0.000	1	120.8763	0.953	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:3:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:C[6a]-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3)	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]N[5])(CH3){1|C<4>,1|H<1>,2|N<3>,5|C<3>}	C[5](C[5]C[6a]N[5]2)(N[5]C[5,6a]C)2(C[6a]C[6a]2){2|C<4>,2|H<1>,8|C<3>}	C(N[5]C[5,6a]C[5])(H)3	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	120.8763	0.953	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:3:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[6a]-3:C-3:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH)	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]C)(CC[6a]HH){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,6a]CO)(N[5]C[5,6a]C)(C[6a]C[6a]2)(COO){2|H<1>,4|C<3>}	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(H)2	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	121.9010	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:3:4:	3:4:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:B[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH)	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(B[5]O[5]2)(CC[6a]HH)	C(N[5]C[5,6a]C[5])(CCHH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]B[5]C[5]C)(CCHH){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[5](C[5]C[5,6a]CC)(N[5]C[5,6a]C)(B[5]O[5]2)(CC[6a]HH){2|C<3>,2|C<4>}	C(N[5]C[5,6a]C[5])(CCHH)(H)2	125.6950	0.000	1	125.6950	0.000	1	125.6950	0.000	1	125.6950	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:1:	3:1:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3)	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H)	C(N[5]C[5,6a]C[5])(H)3	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2H)(CH3){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]CH)(N[5]C[5,6a]C)(C[5]C[5]2O)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6a]C[5])(H)3	117.7840	0.346	2	117.7840	0.120	2	117.7840	0.120	2	117.7840	0.120	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:1:	3:3:1:1:	C[5,6a]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH)	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]CH)(CN[5a]HH){2|C<3>,3|H<1>}	C[5](C[5]C[5,6a]HH)(N[5]C[5,6a]C)(CH3)(H){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6a]C[5])(H)2	120.4860	0.000	1	120.4860	0.000	1	120.4860	0.000	1	116.5630	30.780	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	3:4:4:	4:3:4:1:	3:3:1:1:	N[5]-3:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](N[5]C[6a]C[5])(C[5]C[5]CH)(CC[6a]HH){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CC3)(H){1|C<3>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	116.5630	30.780	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Au)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Au<2>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Au)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(H)3	110.6490	0.000	1	110.6490	0.000	1	112.2812	3.257	5	112.1001	1.944	8	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|C<4>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(H)3	111.3640	0.000	1	112.6893	3.233	4	112.2812	3.257	5	112.1001	1.944	8	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(H)3	113.6030	2.454	2	112.6893	3.233	4	112.2812	3.257	5	112.1001	1.944	8	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|Pt<4>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C(N[5]C[5]O[5])(H)3	112.1870	0.000	1	112.6893	3.233	4	112.2812	3.257	5	112.1001	1.944	8	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]N[5]H)(O[5]C[5])(CH3){1|N<2>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<2>,2|H<1>,4|C<3>}	C(N[5]C[5]O[5])(H)3	111.7983	0.267	3	111.7983	0.071	3	111.7983	0.071	3	112.1001	1.944	8	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:1:	3:4:4:4:	C[5]-4:O[5]-2:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(CH3)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C(N[5]C[5]O[5])(CH3)3	116.5210	0.000	1	116.5210	0.000	1	116.5210	0.000	1	116.5210	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:3:3:2:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:C[6a]-3:N[5]-3:N[5]-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5])	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]2N[5])(O[5]C[5])(CH3){1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]O[5]C)(N[5]C[5]){1|N<3>,4|C<3>,4|H<1>}	C(N[5]C[5]O[5])(H)3	114.3330	0.489	3	114.3330	0.239	3	114.3330	0.239	3	114.3330	0.239	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:4:3:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|H<1>,1|O<2>,3|C<3>}	C(N[5]C[5]N[5])(H)3	115.3170	0.000	1	115.3170	0.000	1	115.2500	0.009	2	114.3058	1.213	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:4:3:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[6a]C[5]H)(N[5]C[5])(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]N[5]C)(H){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5]N[5])(H)3	115.1830	0.000	1	115.1830	0.000	1	115.2500	0.009	2	114.3058	1.213	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:4:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CH3){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){3|C<3>,3|H<1>}	C(N[5]C[5]O[5])(H)3	113.3615	0.252	2	113.3615	0.064	2	113.3615	0.064	2	114.3058	1.213	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:4:3:1:	3:3:1:1:	C[5]-4:O[5]-2:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCHH)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(COO)(H)2	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CCHH){1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	C(N[5]C[5]O[5])(COO)(H)2	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	3:4:3:1:	3:4:4:4:	C[5]-4:O[5]-2:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(CH3)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5])(CC3){1|S<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]O[5]C)(H){2|C<3>,4|H<1>}	C(N[5]C[5]O[5])(CH3)3	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	118.0610	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(N[5]C[5])(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,5]HH)(N[5]C[5])(CH3){3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]N[5]C)(H)2{1|H<1>,4|C<3>}	C(N[5]C[5]N[5])(H)3	115.5720	0.000	1	115.5720	0.000	1	115.5720	0.000	1	115.1485	0.359	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:1:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CH3){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5]O[5])(H)3	114.7250	0.000	1	114.7250	0.000	1	114.7250	0.000	1	115.1485	0.359	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:1:1:	3:3:1:1:	C[5]-4:O[5]-2:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,5]HH)(O[5]C[5,5])(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	110.9110	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:1:1:	3:4:1:1:	C[5]-4:O[5]-2:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(O[5]C[5])(CCHH)	C[5](C[5]C[5]HH)(N[5]O[5]C)(H)2	C(N[5]C[5]O[5])(CCHH)(H)2	N[5](C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5]C)(H)2{1|C<4>,1|H<1>}	C(N[5]C[5]O[5])(CCHH)(H)2	115.5650	0.000	1	115.5650	0.000	1	115.5650	0.000	1	115.5650	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5]-4:N[5]-2:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H)	C(N[5]C[5]N[5])(H)3	N[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6])(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]N[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C(N[5]C[5]N[5])(H)3	114.9680	0.669	6	114.9680	0.448	6	114.9680	0.448	6	114.5637	1.382	11	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3)	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[3,5]C[6a]H)(O[5]C[3,5])(CH3){1|C<4>,4|C<3>}	C[5](C[3,5]C[3,5]C[6a]C[3])(C[6a]C[6a]2)(N[5]O[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C(N[5]C[5]O[5])(H)3	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	114.5637	1.382	11	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C(N[5]C[5]O[5])(H)3	114.0930	0.000	1	113.8553	1.601	3	113.8553	1.601	3	114.5637	1.382	11	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5,5]C[5a]H)(O[5]C[5,5])(CH3){1|S<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]S[5a])(N[5]O[5]C)(H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5]O[5])(H)3	113.7365	1.766	2	113.8553	1.601	3	113.8553	1.601	3	114.5637	1.382	11	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CH3)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5,5]C[6a]H)(O[5]C[5,5])(CH3){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(N[5]C[5]O[5])(H)3	116.1240	0.000	1	116.1240	0.000	1	116.1240	0.000	1	114.5637	1.382	11	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:3:1:	3:3:1:1:	C[5]-4:O[5]-2:C-4:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,5]CH)(O[5]C[5,5])(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]O[5]C)(COO)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:3:1:	3:4:4:4:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC3)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(CH3)3	N[5](C[5]C[6a]C[5]H)(O[5]C[5,5])(CC3){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]O[5]C)(H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(CH3)3	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	116.9350	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:4:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(O[5]C[5])(CH3)	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]CH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHO)(H){1|C<4>,1|H<1>}	C(N[5]C[5]O[5])(H)3	113.4595	1.146	2	113.4595	1.314	2	113.0627	1.129	3	113.0627	1.129	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:4:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(O[5]C[5])(CH3)	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]CH)(O[5]C[5])(CH3){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	C(N[5]C[5]O[5])(H)3	112.2690	0.000	1	112.2690	0.000	1	113.0627	1.129	3	113.0627	1.129	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:3:4:1:	3:3:1:1:	C[5]-4:O[5]-2:C-4:	C[5,6]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC[6a]HH)	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6]CH)(O[5]C[5,6])(CC[6a]HH){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]O[5]C)(CCHH)(H){1|O<1>,1|O<2>,2|C<4>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	112.3575	0.227	2	112.3575	0.052	2	112.3575	0.052	2	112.3575	0.052	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:4:3:1:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[6]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CH3)	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CH3){1|O<2>,2|C<4>,4|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	C(N[5]C[5]O[5])(H)3	112.9110	0.243	3	112.9110	0.059	3	112.9110	0.059	3	112.9110	0.059	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:4:3:1:	3:4:1:1:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH)	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(CCHH)(H)2	N[5](C[5]C[5]C[6]H)(O[5]C[5])(CCHH){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2C)(N[5]O[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C(N[5]C[5]O[5])(CCHH)(H)2	111.4665	0.463	2	111.4665	0.215	2	111.4665	0.215	2	111.4665	0.215	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:2:4:	4:4:3:4:	3:1:1:1:	C[5]-4:O[5]-2:C-4:	C[5]-4:C[5]-4:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]2C)(O[5]C[5])(CH3)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(CHHN)	C(N[5]C[5]O[5])(H)3	N[5](C[5]C[5]2C)(O[5]C[5])(CH3){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(CHHN){1|O<2>,2|H<1>,3|C<4>}	C(N[5]C[5]O[5])(H)3	119.3200	0.000	1	119.3200	0.000	1	119.3200	0.000	1	119.3200	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CH3)3	121.6665	0.523	2	121.6665	0.273	2	121.6665	0.273	2	121.6665	0.273	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|N<2>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]N)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	122.7450	0.000	1	122.7450	0.000	1	123.3880	0.827	2	123.3880	0.827	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(H)3	124.0310	0.000	1	124.0310	0.000	1	123.3880	0.827	2	123.3880	0.827	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:3:4:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	123.3520	0.000	1	123.3520	0.000	1	123.3520	0.000	1	123.3520	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:3:3:1:	C[5]-4:N[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){1|O<1>,2|C<3>,3|H<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	110.8370	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	3:4:3:1:	3:4:4:4:	C[5]-4:B[5]-3:C-4:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H)	C(N[5]B[5]C[5])(CH3)3	N[5](C[5]C[5,6a]C[5]H)(B[5]C[5,6a]C[6a])(CC3){1|H<1>,1|N<3>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]N[5]H)(N[5]B[5]C)(H){1|B<3>,1|C<4>,1|H<1>,5|C<3>}	C(N[5]B[5]C[5])(CH3)3	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1	118.2960	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3)	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]O[5]O)(CH3){1|N<3>,1|O<2>}	C[5](C[5,5]N[5]O[5]2)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,2|C<4>}	C(N[5]C[5]2)(H)3	121.9800	0.000	1	121.9800	0.000	1	121.9800	0.000	1	117.7067	6.670	38	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]O)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<1>,2|H<1>}	C(N[5]C[5]2)(H)3	114.1030	0.000	1	114.1030	0.000	1	117.6031	6.510	36	117.7067	6.670	38	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	C(N[5]C[5]2)(H)3	118.3184	2.134	18	117.6211	6.280	34	117.6031	6.510	36	117.7067	6.670	38	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]N)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>}	C(N[5]C[5]2)(H)3	116.8367	2.723	16	117.6211	6.280	34	117.6031	6.510	36	117.7067	6.670	38	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]O)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<1>}	C(N[5]C[5]2)(H)3	120.4920	0.000	1	120.4920	0.000	1	117.6031	6.510	36	117.7067	6.670	38	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:1:1:1:	C[5]-4:P[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]Mo)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>}	C(N[5]C[5]P[5])(H)3	117.1630	0.000	1	117.1630	0.000	1	117.1630	0.000	1	117.7067	6.670	38	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Ir)(CC[6a]HH){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Ir<6>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.5690	0.000	1	119.5690	0.000	1	119.5590	0.000	2	120.4962	1.200	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Rh)(CC[6a]HH)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]HH)(C[5]N[5,6]Rh)(CC[6a]HH){1|H<1>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|Rh<6>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.5490	0.000	1	119.5490	0.000	1	119.5590	0.000	2	120.4962	1.200	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Ga)(CC[6a]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ga<4>,1|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.9535	1.305	2	120.9535	1.702	2	121.1210	0.935	3	120.4962	1.200	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|S<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	121.4560	0.000	1	121.4560	0.000	1	121.1210	0.935	3	120.4962	1.200	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:2:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-2:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CN)(H)	115.1600	0.000	1	115.1600	0.000	1	115.1600	0.000	1	114.6815	0.458	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:2:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:O-2:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(OC[6a])(H)	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	114.6815	0.458	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:3:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCC)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCC)(H)	112.9730	0.000	1	112.9730	0.000	1	112.9730	0.000	1	111.4628	2.596	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:3:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2H){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)2(H)	111.7032	1.205	4	111.7032	1.453	4	111.7032	1.453	4	111.4628	2.596	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:3:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:N-3:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HN){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(NC[6a]C)(H)	108.9910	0.000	1	108.9910	0.000	1	108.9910	0.000	1	111.4628	2.596	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6]CH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	C(C[6]C[6]2)(N[5]C[5]2)(CC[6a]HN)(H)	116.6530	0.000	1	116.6530	0.000	1	116.6530	0.000	1	113.1133	3.459	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	N[5](C[5]C[5]HH)(C[5]N[5]N)(CC[6a]CH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC[6a]HN)(H)	115.1870	0.000	1	115.1870	0.000	1	115.1870	0.000	1	113.1133	3.459	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<3>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	112.6175	0.868	2	112.0917	1.206	3	112.1716	0.630	5	113.1133	3.459	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCCH)(H)	111.0400	0.000	1	112.0917	1.206	3	112.1716	0.630	5	113.1133	3.459	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	N[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|C<4>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CC[6]CC)(H)	112.1170	0.000	1	112.1170	0.000	1	112.1716	0.630	5	113.1133	3.459	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(CCFF)(H)	112.4660	0.000	1	112.4660	0.000	1	112.1716	0.630	5	113.1133	3.459	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:3:4:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:P-4:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	N[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HP){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(PC[6a]2O)(H)	112.6610	1.865	2	112.6610	3.480	2	112.6610	3.480	2	113.1133	3.459	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]H)(CCHH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	115.7645	0.503	2	115.7645	0.253	2	116.9213	3.482	4	116.0500	6.407	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]Pd)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|Pd<4>,1|C<4>,2|C<3>}	C(N[5]C[5]2)(CHHS)(H)2	116.5220	0.000	1	116.5220	0.000	1	116.9213	3.482	4	116.0500	6.407	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]S)(CCHH){3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,1|S<2>}	C(N[5]C[5]2)(CCHH)(H)2	119.6340	0.000	1	119.6340	0.000	1	116.9213	3.482	4	116.0500	6.407	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2	C(N[5]C[5]N[5])(CCCH)(H)2	N[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(H)2{1|H<1>,2|C<3>}	C(N[5]C[5]N[5])(CCCH)(H)2	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	116.0500	6.407	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5,5]HH)(C[5]N[5]O)(CC3){1|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CH3)3	121.1070	0.000	1	121.1070	0.000	1	121.1070	0.000	1	117.4190	14.213	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]C[5]C)(CC3){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>}	C(N[5]C[5]2)(CH3)3	113.5720	0.000	1	113.5720	0.000	1	115.5750	8.024	2	117.4190	14.213	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]HH)(C[5]N[5]Ni)(CC3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<2>,1|C<4>}	C(N[5]C[5]2)(CH3)3	117.5780	0.000	1	117.5780	0.000	1	115.5750	8.024	2	117.4190	14.213	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]CH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6]C[6,6a]C[6]Ru)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)(C[5]N[5]Ru)(CC[6]CH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ru<8>,1|C<4>}	C(C[6]C[6,6a]C[6]Ru)(N[5]C[5]2)(CH3)(H)	120.3020	0.000	1	120.3020	0.000	1	120.3020	0.000	1	120.3020	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3)	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]N[5]N)(CH3){1|O<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,6a]C[5]O)(C[5]N[5]O)(N[5]C[5]C)(H){1|O<1>,2|C<3>,2|N<3>}	C(N[5]C[5]2)(H)3	122.8070	0.000	1	122.8070	0.000	1	122.8070	0.000	1	120.2301	2.561	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]N)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C(N[5]C[5]2)(H)3	119.5540	1.038	4	119.5540	1.077	4	119.8007	1.524	6	120.2301	2.561	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]N[5]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(N[5]C[5]2)(H)3	120.2940	1.912	2	120.2940	3.656	2	119.8007	1.524	6	120.2301	2.561	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]N[5])(CC[6a]HH)	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[6a]N[5])(CC[6a]HH){6|C<3>}	C[5](C[5,6]C[6]2N[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Br<1>,1|H<1>,2|N<3>,2|O<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	118.3610	0.000	1	118.3610	0.000	1	118.3610	0.000	1	116.6810	3.494	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(CC[6a]HH){1|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	116.2610	1.866	4	116.2610	3.483	4	116.2610	3.483	4	116.6810	3.494	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]N)(CCCH){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<2>,1|O<2>,3|H<1>,5|C<3>}	C(N[5]C[5]2)(CH3)2(H)	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1	117.5865	0.622	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]C)(CCCH){5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|H<1>,6|C<3>}	C(N[5]C[5]2)(CH3)2(H)	117.0290	0.000	1	117.0290	0.000	1	117.0290	0.000	1	117.5865	0.622	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:1:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3)	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CC3){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,1|O<1>}	C(N[5]C[5]2)(CH3)3	123.9180	0.000	1	123.9180	0.000	1	123.9180	0.000	1	123.9180	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3)	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6]C[6a]C)(C[5]N[5]O)(CH3){1|C<4>,4|C<3>}	C[5](C[5,6]C[6,6a]C[6]N[5])(C[6a]C[6a]2)(N[5]C[5]C)(CH3){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C(N[5]C[5]2)(H)3	121.7850	0.000	1	121.7850	0.000	1	121.7850	0.000	1	121.9870	0.082	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:3:4:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[6a]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]O[5]O)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(CHHO){1|O<1>,2|H<1>,4|C<3>}	C(N[5]C[5]2)(H)3	122.1890	0.000	1	122.1890	0.000	1	122.1890	0.000	1	121.9870	0.082	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	118.3010	0.000	1	120.7365	4.114	4	120.7365	4.114	4	120.7365	4.114	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]O)(CH3){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(CH3)(H){1|O<1>,3|C<3>}	C(N[5]C[5]2)(H)3	121.5483	1.489	3	120.7365	4.114	4	120.7365	4.114	4	120.7365	4.114	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]N)(CC[6a]HH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CHHO)(H){1|N<2>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.7600	0.000	1	119.7600	0.000	1	119.7600	0.000	1	119.7600	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H)	C(N[5]C[5]N[5])(CH3)(H)2	N[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CCHN)(H){1|H<1>,1|O<1>}	C(N[5]C[5]N[5])(CH3)(H)2	111.0680	0.406	2	111.0680	0.165	2	111.0680	0.165	2	111.0680	0.165	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]H)(CCCH)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]N[5]H)(CCCH){2|C<3>}	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<3>}	C(N[5]C[5]2)(CH3)2(H)	123.6870	0.000	1	123.6870	0.000	1	123.6870	0.000	1	120.9115	15.407	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:1:	3:4:4:1:	C[5]-4:S[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH)	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H)	C(N[5]C[5]S[5])(CH3)2(H)	N[5](C[5]C[5]CH)(S[5]O[5]O)(CCCH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]S[5]C)(CH3)(H){1|O<1>,2|C<3>}	C(N[5]C[5]S[5])(CH3)2(H)	118.1360	0.000	1	118.1360	0.000	1	118.1360	0.000	1	120.9115	15.407	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:2:	3:4:3:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:O-2:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH)	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH)	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	N[5](C[5]C[5]CO)(C[5]O[5]O)(CCCH){1|C<4>,1|O<2>}	C[5](C[5]O[5]CO)(N[5]C[5]C)(CH3)(OH){1|O<1>}	C(N[5]C[5]2)(CC[5]HH)(COO)(H)	121.0240	0.000	1	121.0240	0.000	1	121.0240	0.000	1	121.0240	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:3:1:1:	C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5]CC)(N[5]C[5]C)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CC)(N[5]C[5]C)(CC[6a]HH){1|O<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]N[5]C)(CH3)2{1|C<3>,1|O<1>}	C(N[5]C[5]N[5])(C[6a]C[6a]2)(H)2	116.4485	0.773	2	116.4485	0.597	2	116.4485	0.597	2	116.4485	0.597	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:4:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CC)(C[5]C[5]2)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	116.7050	0.000	1	116.7050	0.000	1	116.7050	0.000	1	116.7050	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:3:4:4:	3:4:4:4:	C[5]-4:C[5]-3:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]C[5]2)(CC3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]CC)(C[5]C[5]2)(CC3){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,2|C<4>}	C(N[5]C[5]2)(CH3)3	121.0350	0.000	1	121.0350	0.000	1	121.0350	0.000	1	121.0350	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-3:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[3]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]O[5]O)(CC[3]HH)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]O[5]O)(CC[3]HH){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C(C[3]C[3]O[3]H)(N[5]C[5]2)(H)2	122.9480	0.000	1	122.9480	0.000	1	122.9480	0.000	1	122.9480	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:4:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[4]-4:C[5]-4:N[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHN)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHN){1|C<4>,1|O<1>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.7900	0.000	1	124.7900	0.000	1	124.8250	0.002	2	124.8250	0.002	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:3:4:	4:4:3:4:	3:3:1:1:	C[5]-4:C[5]-3:C-4:	C[4]-4:C[5]-4:N[5]-3:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH)	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4]C[5]C)(C[5]O[5]O)(CC[6a]HH){2|H<1>,3|C<4>}	C[5](C[4]C[4]2H)(C[5]O[5]CH)(N[5]C[5]C)(CHHO){1|C<4>,1|O<1>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	124.8600	0.000	1	124.8600	0.000	1	124.8250	0.002	2	124.8250	0.002	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	3:3:3:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){4|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]O[5]C)(H){1|H<1>,4|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	113.0510	0.000	1	113.0510	0.000	1	112.1290	1.604	3	111.8930	1.292	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	3:3:3:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){1|C<4>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	110.6850	0.000	1	111.6680	1.933	2	112.1290	1.604	3	111.8930	1.292	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	3:3:3:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]O[5]C)(H){2|H<1>,3|C<3>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	112.6510	0.000	1	111.6680	1.933	2	112.1290	1.604	3	111.8930	1.292	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	3:3:3:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]N[5]H)(CC[6a]HH)(O[5]C[5]){1|Pt<4>,1|N<3>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]Pt)(N[5]O[5]C)(H){1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	111.1850	0.000	1	111.1850	0.000	1	111.1850	0.000	1	111.8930	1.292	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	3:4:3:1:	3:3:1:1:	C[5]-4:C-4:N[5]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H)	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	N[5](C[5]C[6a]C[5]H)(CN[5a]HH)(N[5]C[5]){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]N[5]C)(H){2|H<1>,3|C<3>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]N[5])(H)2	116.7270	0.000	1	116.7270	0.000	1	116.7270	0.000	1	112.2617	4.097	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	3:4:3:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]2H)(N[5]O[5]C)(H){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	114.4650	0.000	1	114.4650	0.000	1	111.7035	1.478	8	112.2617	4.097	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	3:4:3:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]O[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	111.3690	0.000	1	111.3690	0.000	1	111.7035	1.478	8	112.2617	4.097	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	3:4:3:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[6a]C[5]H)(CC[6a]HH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]O[5]C)(H){1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	111.2990	0.570	6	111.2990	0.325	6	111.7035	1.478	8	112.2617	4.097	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	4:3:4:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]O[5]C)(CCHH)(H){2|C<4>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	116.3915	0.581	2	116.3915	0.337	2	115.2053	4.389	3	115.2053	4.389	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	4:3:4:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(CC[6a]HH)(O[5]C[5]){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]O[5]C)(CC[5]HO)(H){1|C<4>,1|H<1>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	112.8330	0.000	1	112.8330	0.000	1	115.2053	4.389	3	115.2053	4.389	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	4:4:3:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5]){1|O<2>,3|C<4>,3|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	111.8030	0.000	1	111.8030	0.000	1	113.6273	2.393	4	113.6273	2.393	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:2:	4:4:3:1:	3:3:1:1:	C[5]-4:C-4:O[5]-2:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5])	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H)	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]2H)(CC[6a]HH)(O[5]C[5]){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]O[5]C)(H){1|O<2>,2|H<1>,3|C<4>}	C(N[5]C[5]O[5])(C[6a]C[6a]2)(H)2	114.2353	1.171	3	114.2353	1.371	3	113.6273	2.393	4	113.6273	2.393	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:2:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:O[5]-2:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)	C[5](N[5]C[5]C)(O[5]C[5])(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3){1|H<1>,3|C<3>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	114.0960	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:2:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:O[5]-2:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)	C[5](N[5]C[5]C)(O[5]C[5])(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.2850	0.000	1	112.2850	0.000	1	112.2850	0.000	1	112.7573	0.204	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:2:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:O[5]-2:H-1:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	C[5](N[5]C[5]C)(O[5]C[5])(H)2	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|C<3>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2)2(H)2	112.9935	0.271	2	112.9935	0.073	2	112.9935	0.073	2	112.7573	0.204	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:2:1:1:	3:3:3:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:O[5]-2:H-1:H-1:	N[5]-3:C[6a]-3:C[6a]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]O[5]HH)(CC[6a]2H){1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)2(H)	111.2025	0.827	2	111.2025	0.683	2	111.2025	0.683	2	111.2025	0.683	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:2:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:S[5]-2:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3)	C[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3){2|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H){2|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	112.9110	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:2:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:O[5]-2:C-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H)	C(N[5]C[5,5]C[5])(COO)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH){1|N<3>,3|C<3>}	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,5]C[5])(COO)(H)2	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	111.2870	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:2:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:O[5]-2:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH)	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5,6]H)(C[5]O[5]CH)(CCHH){1|N<3>,3|C<3>}	C[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H){1|H<1>,1|N<3>,2|C<3>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	114.0870	0.000	1	114.0870	0.000	1	114.0870	0.000	1	114.0870	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:2:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:S[5]-2:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CC[6a]HH)	C[5](N[5]C[5]C)(S[5]C[5])(CHHS)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CC[6a]HH){2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(CHHS)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	112.0340	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:2:4:4:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C(N[5]C[5]2)(H)3	116.1163	0.696	3	116.1163	0.484	3	116.1163	0.484	3	116.1163	0.484	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,4|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]C)(H)2{3|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.3630	0.000	1	114.3630	0.000	1	114.3630	0.000	1	114.7495	6.077	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C(N[5]C[5]2)(H)3	115.6810	0.000	1	115.6810	0.000	1	115.6810	0.000	1	114.7495	6.077	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:F-1:F-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]FF)(CH3)	C[5](N[5]C[5]C)2(F)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]FF)(CH3){1|C<4>,2|H<1>}	C[5](N[5]C[5]C)2(F)2{4|H<1>}	C(N[5]C[5]2)(H)3	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	114.7495	6.077	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)	C[5](N[5]C[5]C)2(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C(N[5]C[5]2)(H)3	111.5560	0.000	1	111.5560	0.000	1	111.5560	0.000	1	114.7495	6.077	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]HH)(CC[6a]HH)	C[5](N[5]C[5,5,6]C)2(H)2	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5,6]C[5,5,6]2H)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[5,5,6]C)2(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(H)2	113.6355	0.708	2	113.6355	0.501	2	113.6355	0.501	2	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CCH)(H)2	112.3930	0.000	1	112.3930	0.000	1	112.3930	0.000	1	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH)	C[5](N[5]C[5,6]C)2(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CC[6a]HH){3|C<4>,3|H<1>}	C[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	112.8197	0.737	21	112.8197	0.542	21	112.9250	0.622	23	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(CC[6a]HH)	C[5](N[5]C[5,6]C)2(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[5]N[5]HH)(CC[6a]HH){1|H<1>,1|N<3>,3|C<4>}	C[5](N[5]C[5,6]C)2(H)2{2|H<1>,2|N<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	114.0300	0.397	2	114.0300	0.158	2	112.9250	0.622	23	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH)	C[5](N[5]C[5,6]C)2(H)2	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CN[5a]HH){3|C<4>,3|H<1>}	C[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5,6]C[5])(H)2	115.4805	0.074	2	115.4805	0.006	2	115.4805	0.006	2	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5a]HH)2(CC[6a]HH)	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]HH){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|S<4>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.9530	0.000	1	112.9530	0.000	1	113.4915	0.580	2	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5a]HH)2(CC[6a]HH)	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]HH){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5a,6a]C[5,5a])(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.0300	0.000	1	114.0300	0.000	1	113.4915	0.580	2	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[6]-3:N[5]-3:H-1:H-1:	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH)	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH){1|N<2>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2{2|H<1>,3|C<3>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	114.3100	0.000	1	114.3100	0.000	1	114.3100	0.000	1	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(CC[6a]HH)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]HH)2(CC[6a]HH){2|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.6612	0.255	6	113.6612	0.065	6	113.6612	0.065	6	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.7180	0.000	1	114.7180	0.000	1	114.7180	0.000	1	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HH)	C[5](N[5]C[5]C)2(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HH){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.1270	0.000	1	113.1270	0.000	1	113.1346	1.768	18	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|S<3>}	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.7650	0.089	2	112.7067	0.014	3	113.1346	1.768	18	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|S<3>}	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.5900	0.000	1	112.7067	0.014	3	113.1346	1.768	18	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	C[5](N[5]C[5]C)2(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](N[5]C[5]C)2(H)2{4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.2269	1.503	14	113.2269	2.259	14	113.1346	1.768	18	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH)	C[5](N[5]C[5]C)2(H)2	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH){1|C<4>,2|H<1>}	C[5](N[5]C[5]C)2(H)2{4|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	114.6730	3.698	2	114.6730	13.676	2	114.6730	13.676	2	113.3042	1.417	58	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]HH)2(CC[6a]CH)	C[5](C[5,5]C[5,5]S[5])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]HH)2(CC[6a]CH){2|S<2>}	C[5](C[5,5]C[5,5]S[5])(N[5]C[5]C)(H)2{1|C<3>,1|S<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	114.5565	1.615	4	114.5565	2.607	4	114.5565	2.607	4	114.5084	1.237	8	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)2(CC[6a]CH)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH){2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	114.4603	0.521	4	114.4603	0.272	4	114.4603	0.272	4	114.5084	1.237	8	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	C[5](N[5]C[5,6]C)(C[5]C[5]H)(H)2	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){2|C<4>,6|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	110.0967	1.203	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH)	C[5](N[5]C[5,6]C)2(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCHH){3|C<4>,3|H<1>}	C[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	111.8870	0.000	1	111.8870	0.000	1	111.8870	0.000	1	110.0967	1.203	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCHH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	108.6470	0.000	1	108.6470	0.000	1	109.5360	0.449	4	110.0967	1.203	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	110.1140	0.000	1	110.1140	0.000	1	109.5360	0.449	4	110.0967	1.203	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	109.3970	0.000	1	109.3970	0.000	1	109.5360	0.449	4	110.0967	1.203	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	C(N[5]C[5]2)(CCHH)(H)2	109.9860	0.000	1	109.9860	0.000	1	109.5360	0.449	4	110.0967	1.203	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5,6a]HH)2(CCCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCCH)(CNO)(H)	N[5](C[5]C[5,6a]HH)2(CCCH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	C(N[5]C[5]2)(CCCH)(CNO)(H)	115.6268	1.110	4	115.6268	1.231	4	115.6268	1.231	4	114.5932	6.265	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(COO)(H)	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	114.5932	6.265	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH)	C[5](N[5]C[5,6]C)2(H)2	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]HH)(CCCH){3|C<4>,3|H<1>}	C[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(CH3)(H)	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	114.0950	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	3:4:4:4:	P[5]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](P[5]C[6a]2C[5])(C[5]C[5]HH)(CC3)	C[5](C[5]C[5]N)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)3	N[5](P[5]C[6a]2C[5])(C[5]C[5]HH)(CC3){1|N<2>,1|P<4>,4|C<3>}	C[5](C[5]C[5]N)(N[5]P[5]C)(H)2{1|P<4>,2|C<3>}	C(N[5]C[5]P[5])(CH3)3	117.0270	0.000	1	117.0270	0.000	1	117.0270	0.000	1	117.0270	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	P-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHP)	C[5](N[5]C[5]C)2(H)2	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHP){1|C<4>,2|H<1>}	C[5](N[5]C[5]C)2(H)2{4|H<1>}	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	114.3060	3.026	2	114.3060	9.159	2	114.3060	9.159	2	114.3060	9.159	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5]2)(H)3	112.4705	0.416	2	112.4705	0.173	2	112.8343	0.548	7	112.7139	0.586	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5a]N[5a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	112.9363	0.950	4	112.9363	0.903	4	112.8343	0.548	7	112.7139	0.586	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[5a]N[5a]S[5a])(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	113.1540	0.000	1	113.1540	0.000	1	112.8343	0.548	7	112.7139	0.586	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3){2|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	112.1280	0.000	1	112.1280	0.000	1	112.6297	0.657	10	112.7139	0.586	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>}	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C(N[5]C[5]2)(H)3	112.9760	0.000	1	112.9760	0.000	1	112.6297	0.657	10	112.7139	0.586	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	111.6620	0.000	1	112.6491	0.791	8	112.6297	0.657	10	112.7139	0.586	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5]2)(H)3	112.6907	1.072	3	112.6491	0.791	8	112.6297	0.657	10	112.7139	0.586	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C(N[5]C[5]2)(H)3	112.8648	0.831	4	112.6491	0.791	8	112.6297	0.657	10	112.7139	0.586	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH){2|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.2410	0.000	1	114.2410	0.000	1	113.0563	1.055	3	116.4028	13.789	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a,6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.4640	0.075	2	112.4640	0.006	2	113.0563	1.055	3	116.4028	13.789	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:N[5]-3:O-2:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5,6a]HO)(S[5]C[5,6a]OO)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(OH)(H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HO)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(OH)(H){1|H<1>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	118.5430	0.000	1	118.5430	0.000	1	118.5430	0.000	1	116.4028	13.789	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:N[5]-3:S-2:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	117.9826	3.793	5	117.9826	14.386	5	117.9826	14.386	5	116.4028	13.789	9	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH){2|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<2>,3|C<3>,3|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	113.5587	1.549	3	113.5587	2.401	3	113.5587	2.401	3	115.1874	10.719	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:4:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:N[5]-3:S-2:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	114.0835	0.380	2	114.0835	0.144	2	116.4090	15.196	4	115.1874	10.719	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:4:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:N[5]-3:S-2:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H)	C(N[5]C[5]S[5])(CN[5]HH)(H)2	N[5](C[5]C[5,6a]HS)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(SC)(H){1|H<1>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(CN[5]HH)(H)2	118.7345	4.880	2	118.7345	23.812	2	116.4090	15.196	4	115.1874	10.719	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)2(H)	114.9035	0.346	2	114.9035	0.120	2	114.9035	0.120	2	114.9035	0.120	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:1:	3:4:4:4:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)(CC3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)(CC3){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(CH3)3	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:4:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[6a]HH){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	117.7670	0.000	1	117.7670	0.000	1	117.2375	0.561	2	117.2375	0.561	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:2:4:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,3|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	116.7080	0.000	1	116.7080	0.000	1	117.2375	0.561	2	117.2375	0.561	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:C-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(CH3)	C[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C)(COO)(H)	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>}	C[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	116.0060	0.000	1	116.0060	0.000	1	116.0060	0.000	1	116.3703	2.639	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CH3)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CH3){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){3|H<1>,5|C<3>}	C(N[5]C[5]2)(H)3	116.5525	2.254	2	116.5525	5.078	2	116.5525	5.078	2	116.3703	2.639	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.5300	0.000	1	113.5300	0.000	1	115.7370	9.742	2	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH){1|O<1>,1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	117.9440	0.000	1	117.9440	0.000	1	115.7370	9.742	2	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH){1|O<1>,1|S<4>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){1|O<1>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.2400	0.000	1	114.7665	0.448	2	113.7521	0.843	10	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH){1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.2930	0.000	1	114.7665	0.448	2	113.7521	0.843	10	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.4230	0.000	1	112.4230	0.000	1	113.7521	0.843	10	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.1055	0.536	4	113.9178	0.391	5	113.7521	0.843	10	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){1|Cl<1>,1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.1670	0.000	1	113.9178	0.391	5	113.7521	0.843	10	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	112.9880	0.663	2	112.9880	0.440	2	113.7521	0.843	10	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){4|C<3>,4|H<1>}	C(N[5]C[5]2)(COO)(H)2	116.8710	0.000	1	116.8710	0.000	1	115.1430	5.972	2	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){4|C<3>,4|H<1>}	C(N[5]C[5]2)(CCC)(H)2	113.4150	0.000	1	113.4150	0.000	1	115.1430	5.972	2	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[6]-3:N[5]-3:H-1:H-1:	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H)	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6]HH){1|N<2>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C(C[6]C[6]N[6])(N[5]C[5]2)(H)2	111.2720	0.000	1	111.2720	0.000	1	111.2720	0.000	1	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6a]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.2050	0.000	1	113.2050	0.000	1	113.2050	0.000	1	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){4|H<1>,6|C<3>}	C(N[5]C[5]2)(COO)(H)2	115.3400	0.000	1	115.3400	0.000	1	115.3400	0.000	1	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CC[6a]HH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H){1|H<1>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	117.9510	1.365	2	117.9510	1.862	2	117.9510	1.862	2	114.4737	3.958	19	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)2(H)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)2(H){1|N<2>,1|N<3>,5|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	113.4205	0.363	2	113.4205	0.132	2	113.4205	0.132	2	114.6708	3.378	24	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	112.2160	0.000	1	112.2160	0.000	1	112.2160	0.000	1	114.6708	3.378	24	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,5|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	114.0705	1.030	2	114.0705	1.061	2	114.9839	3.837	17	114.6708	3.378	24	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<3>,1|N<2>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	114.6830	0.805	2	114.6830	0.648	2	114.9839	3.837	17	114.6708	3.378	24	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H){2|C<3>,6|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	114.0058	0.443	5	114.0058	0.197	5	114.9839	3.837	17	114.6708	3.378	24	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	118.2278	0.177	4	118.2278	0.031	4	114.9839	3.837	17	114.6708	3.378	24	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	113.5697	0.831	4	113.5697	0.691	4	114.9839	3.837	17	114.6708	3.378	24	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:1:	3:4:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:N[5]-3:N-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H)	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	N[5](C[5]C[5,6a]HN)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(NCH)(H){1|H<1>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(CC[6a]HH)(H)2	114.5793	1.331	4	114.5793	1.772	4	114.5793	1.772	4	114.6708	3.378	24	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:2:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH)	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5])	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)2(N[5]C[5]C)(O[5]C[5]){1|Cl<1>,1|N<3>,4|C<3>,6|H<1>}	C(N[5]C[5]2)(CNO)(H)2	115.8970	0.809	4	115.8970	0.654	4	115.8970	0.654	4	115.8970	0.654	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:3:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(CH3)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCC)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CCC){2|C<3>,2|C<4>,3|H<1>}	C(N[5]C[5]2)(H)3	116.1990	0.000	1	116.1990	0.000	1	116.1990	0.000	1	119.9630	28.335	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:3:	3:1:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO)	C(N[5]C[5]S[5])(H)3	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CH3){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO){1|F<1>,2|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5]S[5])(H)3	123.7270	0.000	1	123.7270	0.000	1	123.7270	0.000	1	119.9630	28.335	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:3:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO)	C(N[5]C[5]S[5])(CCH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO){1|F<1>,2|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5]S[5])(CCH)(H)2	121.4340	0.000	1	121.4340	0.000	1	121.4340	0.000	1	121.4340	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:3:	3:4:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:C[6a]-3:N[5]-3:C-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO)	C(N[5]C[5]S[5])(CCHH)(H)2	N[5](C[5]C[5,6a]C[6a]C)(S[5]C[5,6a]OO)(CCHH){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]S[5]C)(COO){1|F<1>,2|H<1>,2|O<1>,4|C<3>}	C(N[5]C[5]S[5])(CCHH)(H)2	122.6940	0.000	1	122.6940	0.000	1	122.6940	0.000	1	122.6940	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:4:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]N)(N[5]C[5]C)(CC[6a]HH){2|C<3>,6|H<1>}	C(N[5]C[5]2)(H)3	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	116.0910	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:4:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCHH)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(CCHH){1|O<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(CH3){3|C<3>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	115.4460	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:3:4:	3:4:4:4:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)(CC3)	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[6a]C[5]C)(C[5]C[6a]O[5]H)(CC3){1|O<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH){3|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)3	123.6410	0.000	1	123.6410	0.000	1	123.6410	0.000	1	123.6410	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CH3){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	115.1210	0.000	1	115.1210	0.000	1	115.1210	0.000	1	115.1415	0.001	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(CH3)	C[5](N[5]C[5]C)2(CC3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CH)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[5](N[5]C[5]C)2(CC3)(H){1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	115.1620	0.000	1	115.1620	0.000	1	115.1620	0.000	1	115.1415	0.001	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-3:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CH)(CC[6a]HH)	C[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]CH)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	112.8770	0.000	1	112.8770	0.000	1	112.8770	0.000	1	114.6648	2.555	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HH)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]N[5]HH)(CC[6a]HH){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.4730	0.000	1	113.4730	0.000	1	113.4730	0.000	1	114.6648	2.555	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CC[6a]HH)	C[5](N[5]C[5]C)2(CH3)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5]C)2(CH3)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.4098	1.407	4	115.4098	1.979	4	115.4098	1.979	4	114.6648	2.555	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH){1|C<3>,1|O<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(CH3)(H){1|O<1>,2|C<3>,2|C<4>}	C(N[5]C[5]2)(CCHH)(H)2	111.9610	0.000	1	111.9610	0.000	1	113.7120	6.132	2	113.7120	6.132	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)	C[5](N[5]C[5]C)2(CCCS)(H)	C(N[5]C[5]2)(CCCS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH){1|C<3>,2|H<1>}	C[5](N[5]C[5]C)2(CCCS)(H){4|H<1>}	C(N[5]C[5]2)(CCCS)(H)2	115.4630	0.000	1	115.4630	0.000	1	113.7120	6.132	2	113.7120	6.132	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:1:	3:4:4:4:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(CC3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H)	C(N[5]C[5]S[5])(CH3)3	N[5](C[5]C[5,6a]CH)(S[5]C[5,6a]OO)(CC3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CH3)(H){1|H<1>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(CH3)3	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	118.6230	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:2:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5]-3:C-4:O-2:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,6a]CO)(C[5]C[5,6a]HH)(CH3){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH){2|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	118.1300	0.000	1	118.1300	0.000	1	118.1300	0.000	1	118.1300	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:3:	3:4:1:1:	C[5]-4:S[5]-4:C-4:	C[5,6a]-3:N[5]-3:C-4:C-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(CCHH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CCCH)(COO)	C(N[5]C[5]S[5])(CH3)(H)2	N[5](C[5]C[5,6a]CC)(S[5]C[5,6a]OO)(CCHH){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5]C)(CCCH)(COO){1|H<1>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(CH3)(H)2	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]CC)(CH3)	C[5](C[5]N[5]Se)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]CC)(CH3){1|Se<2>,1|O<1>}	C[5](C[5]N[5]Se)(N[5]C[5]C)(CH3)2{1|O<1>,2|C<4>}	C(N[5]C[5]2)(H)3	117.5920	0.000	1	117.5920	0.000	1	117.5920	0.000	1	116.8580	1.078	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:4:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]CC)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]O)(CH3)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]N[5]CC)(CH3){1|Se<2>,1|O<1>}	C[5](N[5]C[5]C)(N[5]C[5]O)(CH3)2{1|Se<2>,2|C<4>}	C(N[5]C[5]2)(H)3	116.1240	0.000	1	116.1240	0.000	1	116.1240	0.000	1	116.8580	1.078	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:4:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]CH)(CCHH){1|C<3>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	114.7700	0.000	1	114.7700	0.000	1	114.7505	0.001	2	114.7505	0.001	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:4:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCHH)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCHH){1|C<3>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	114.7310	0.000	1	114.7310	0.000	1	114.7505	0.001	2	114.7505	0.001	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:3:4:4:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CCHH)(COO)(H)	N[5](C[5]C[5]CC)(C[5]N[5]HH)(CCCH){1|C<3>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(COO)(H)	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5,6,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6,6]C[5,6,6]C[5,6]2)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2	C(N[5]C[5,5,6,6]C[5])(H)3	N[5](C[5,5,6,6]C[5,6,6]C[5,6]2)(C[5]C[5]HH)(CH3){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>}	C(N[5]C[5,5,6,6]C[5])(H)3	111.6160	0.000	1	111.6160	0.000	1	111.6160	0.000	1	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.8050	0.000	1	113.8050	0.000	1	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.9340	0.000	1	114.2900	0.253	2	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2{1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.6460	0.000	1	114.2900	0.253	2	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.4310	0.000	1	114.8295	0.724	2	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.2280	0.000	1	114.8295	0.724	2	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.5960	0.000	1	114.4840	0.268	6	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.6732	0.361	4	114.4840	0.268	6	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.6150	0.000	1	114.4840	0.268	6	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,1|S<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.4850	0.000	1	113.4850	0.000	1	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.2860	0.000	1	115.2860	0.000	1	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.5240	0.000	1	115.5240	0.000	1	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.6460	0.000	1	114.6460	0.000	1	114.5259	0.415	15	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CH3)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,6]C[5])(H)3	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>,2|P<4>}	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	C(N[5]P[5,6]C[5])(H)3	118.3830	1.847	2	118.3830	3.411	2	118.7283	2.171	11	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:1:1:1:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3)	C[5](N[5]P[5,6]C)(C[5]O[5]HH)(H)2	C(N[5]P[5,6]C[5])(H)3	N[5](P[5,6]N[6]2O[5])(C[5]C[5]HH)(CH3){2|H<1>,2|P<4>}	C[5](N[5]P[5,6]C)(C[5]O[5]HH)(H)2{2|N<2>}	C(N[5]P[5,6]C[5])(H)3	118.8050	1.500	9	118.8050	2.250	9	118.7283	2.171	11	116.1302	6.183	27	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[4,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[4,5]C[4]2C[5])(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,6|H<1>}	C[5](N[5]C[4,5]C)(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>}	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	113.7910	0.000	1	113.7910	0.000	1	113.7910	0.000	1	115.0182	2.376	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	114.6980	1.861	2	114.6980	3.464	2	114.7370	1.736	3	115.0182	2.376	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,1|C<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	114.8150	0.000	1	114.8150	0.000	1	114.7370	1.736	3	115.0182	2.376	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:3:1:1:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|P<4>}	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	C(N[5]P[5,6]C[5])(C[6a]C[6a]2)(H)2	117.0890	0.000	1	117.0890	0.000	1	117.0890	0.000	1	115.0182	2.376	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:3:4:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CC[6a]CH){1|Fe<10>,3|C<4>,6|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CHHO)(H)	117.8340	0.000	1	117.8340	0.000	1	117.8340	0.000	1	117.8340	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,6]C[5]O[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	116.6877	0.919	3	116.6877	0.844	3	115.1543	4.663	17	115.8039	10.125	26	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH)	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CCHH){1|O<1>,1|S<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(CH3)(H)2	113.6650	0.000	1	113.6650	0.000	1	115.1543	4.663	17	115.8039	10.125	26	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH)	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2	C(N[5]C[5,5]C[5])(CH3)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C(N[5]C[5,5]C[5])(CH3)(H)2	116.1293	0.765	9	116.1293	0.585	9	115.1543	4.663	17	115.8039	10.125	26	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,7|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	113.8830	0.000	1	112.1827	5.029	4	115.1543	4.663	17	115.8039	10.125	26	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<4>,7|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	110.4910	0.000	1	112.1827	5.029	4	115.1543	4.663	17	115.8039	10.125	26	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(CC[6a]HH)(H)2	112.1785	3.055	2	112.1827	5.029	4	115.1543	4.663	17	115.8039	10.125	26	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	109.1570	0.000	1	109.1570	0.000	1	109.4870	0.218	2	115.8039	10.125	26	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCHH){2|C<4>,8|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CC[5]HH)(H)2	109.8170	0.000	1	109.8170	0.000	1	109.4870	0.218	2	115.8039	10.125	26	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,6]C[5])(CH3)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,2|P<4>}	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	C(N[5]P[5,6]C[5])(CH3)(H)2	119.4194	1.599	5	119.4194	2.558	5	119.4194	2.558	5	115.8039	10.125	26	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:1:1:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	N[5](P[5,6]N[5]N[6]2)(C[5]C[5]HH)(CC[5]HH){1|C<4>,2|H<1>,2|P<4>}	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|N<2>}	C(N[5]P[5,6]C[5])(C[5]C[5]2Fe)(H)2	118.6035	0.235	2	118.6035	0.055	2	118.6035	0.055	2	115.8039	10.125	26	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:4:1:	P[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,5]C[5])(CH3)2(H)	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<3>,1|C<3>,1|C<4>}	C(N[5]P[5,5]C[5])(CH3)2(H)	120.4190	0.413	2	119.8670	0.999	3	119.8670	0.999	3	118.8098	3.800	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:4:1:	P[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH)	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,5]C[5])(CH3)2(H)	N[5](P[5,5]C[5,5,6]Ge[5]N[5])(C[5]C[5]HH)(CCCH){1|Rh<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]P[5,5]C)(C[5]N[5]HH)(H)2{1|Ge<4>,1|C<3>,1|C<4>}	C(N[5]P[5,5]C[5])(CH3)2(H)	118.7630	0.000	1	119.8670	0.999	3	119.8670	0.999	3	118.8098	3.800	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:1:1:	3:4:4:1:	P[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[5,6]C[5,6,6]C[6]N[5])(C[5]C[5]HH)(CCCH)	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2	C(N[5]P[5,6]C[5])(CH3)2(H)	N[5](P[5,6]C[5,6,6]C[6]N[5])(C[5]C[5]HH)(CCCH){1|Ge<2>,1|C<3>,1|P<3>,2|C<4>,2|H<1>}	C[5](N[5]P[5,6]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	C(N[5]P[5,6]C[5])(CH3)2(H)	117.2240	2.195	2	117.2240	4.817	2	117.2240	4.817	2	118.8098	3.800	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C(N[5]C[5]2)(H)3	112.1110	0.000	1	112.1110	0.000	1	114.2627	3.977	3	114.8240	3.912	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>,2|O<2>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(H)3	116.0490	0.000	1	116.0490	0.000	1	114.2627	3.977	3	114.8240	3.912	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CH3){2|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	114.6280	0.000	1	114.6280	0.000	1	114.2627	3.977	3	114.8240	3.912	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:1:1:1:	C[5]-4:S[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H)	C(N[5]C[5]S[5])(H)3	N[5](C[5]C[6a]C[5]H)(S[5]C[5]OO)(CH3){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]S[5]C)(H){2|C<3>,2|O<1>,4|H<1>}	C(N[5]C[5]S[5])(H)3	116.5080	0.000	1	116.5080	0.000	1	116.5080	0.000	1	114.8240	3.912	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5]2O[5])(C[5]C[5]CH)(CC[6a]HH)	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(COO)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5]2O[5])(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|H<1>,4|C<4>}	C[5](N[5]C[5,5]C)(C[5]O[5]CH)(COO)(H){2|N<3>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	118.0650	0.000	1	118.0650	0.000	1	118.0650	0.000	1	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(CC[6a]HH)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(COO)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]CH)(CC[6a]HH){1|C<2>,2|C<4>,7|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(COO)(H){2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	114.0940	0.000	1	114.0940	0.000	1	114.0940	0.000	1	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.7520	0.000	1	114.7520	0.000	1	113.4297	2.396	9	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|I<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|I<1>,2|C<3>,5|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.0500	0.000	1	113.0500	0.000	1	113.4297	2.396	9	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CC[6a]HH){1|S<4>,2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]C)(H){1|S<4>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	111.4740	0.000	1	111.4740	0.000	1	113.4297	2.396	9	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[6a]HH){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	111.8330	0.000	1	111.8330	0.000	1	113.4297	2.396	9	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CC[6a]HH){2|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.3790	0.000	1	115.3790	0.000	1	113.4297	2.396	9	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.2160	0.000	1	113.2160	0.000	1	113.4297	2.396	9	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	111.7970	0.000	1	113.7210	3.399	3	113.4297	2.396	9	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)2(CC[6a]HH){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.6830	1.116	2	113.7210	3.399	3	113.4297	2.396	9	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|C<4>,1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,3|H<1>}	C(N[5]C[5]2)(COO)(H)2	117.0860	0.000	1	116.6270	0.421	2	116.6270	0.421	2	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH)	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(COO)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CCHH){1|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	C(N[5]C[5]2)(COO)(H)2	116.1680	0.000	1	116.6270	0.421	2	116.6270	0.421	2	114.3292	4.287	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]2H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]2H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,6|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	113.7810	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH){3|C<3>,3|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	113.3173	9.080	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH)	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(CCHH){2|C<2>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	111.8247	0.504	3	111.8247	0.254	3	111.8247	0.254	3	113.3173	9.080	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]C[5]H)2(CCCH)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)2(CCCH){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C(N[5]C[5]2)(CH3)2(H)	113.2870	0.000	1	113.2870	0.000	1	116.2190	17.193	2	116.2190	17.193	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]C[5]H)2(CCCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]C[5]H)2(CCCH){2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C(N[5]C[5]2)(CH3)2(H)	119.1510	0.000	1	119.1510	0.000	1	116.2190	17.193	2	116.2190	17.193	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:4:4:4:	C[5]-4:C[5]-4:C-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CC)(CC3)	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CC)(CC3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]CC)(N[5]C[5]C)(H){2|C<3>,2|H<1>,3|C<4>}	C(N[5]C[5]2)(CH3)3	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	119.1666	7.651	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:4:4:4:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3){2|C<3>,2|F<1>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<2>,2|C<3>,2|F<1>,3|H<1>}	C(N[5]C[5]2)(CH3)3	118.5100	0.226	2	118.5100	0.051	2	118.5100	0.051	2	119.1666	7.651	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:4:4:4:	C[5]-4:Ga[5]-4:C-4:	C[5,6]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(CC3)	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H)	C(N[5]Ga[5]C[5])(CH3)3	N[5](C[5]C[5,6]C[5]H)(Ga[5]N[5,6]II)(CC3){1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]N[5,6]C[6])(C[5]C[5,6]N[5]H)(N[5]Ga[5]C)(H){1|Ga<4>,1|C<4>,1|H<1>,1|N<3>,2|I<1>,3|C<3>}	C(N[5]Ga[5]C[5])(CH3)3	116.6860	0.000	1	116.6860	0.000	1	116.6860	0.000	1	119.1666	7.651	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:3:1:	3:4:4:4:	C[5]-4:S[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(CC3)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H)	C(N[5]C[5]S[5])(CH3)3	N[5](C[5]C[6a]C[5]H)(S[5]N[5]OO)(CC3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]S[5]C)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C(N[5]C[5]S[5])(CH3)3	123.9220	0.000	1	123.9220	0.000	1	123.9220	0.000	1	119.1666	7.651	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	3:4:4:1:	3:4:4:4:	Si[3,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3)	C[5](N[5]Si[3,5]C)(C[5]N[5]HH)(CC3)(H)	C(N[5]Si[3,5]C[5])(CH3)3	N[5](Si[3,5]Si[3,5]N[3]N[5])(C[5]C[5]CH)(CC3){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[5](N[5]Si[3,5]C)(C[5]N[5]HH)(CC3)(H){1|Si<4>,1|C<4>,1|N<3>}	C(N[5]Si[3,5]C[5])(CH3)3	113.5340	0.313	2	113.5340	0.098	2	113.5340	0.098	2	113.5340	0.098	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[3x5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2	C(N[5]C[3x5,6]C[5])(H)3	N[5](C[3x5,6]C[3x5,6]C[5,5,6]C[5])(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2{2|C<3>,2|C<4>}	C(N[5]C[3x5,6]C[5])(H)3	113.1040	0.000	1	113.1040	0.000	1	113.1040	0.000	1	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C(N[5]C[3x5]C[5])(H)3	113.0870	1.207	3	113.0870	1.457	3	113.5439	2.271	11	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	C(N[5]C[3x5]C[5])(H)3	113.0235	1.471	2	113.0235	2.165	2	113.5439	2.271	11	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,5|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C(N[5]C[3x5]C[5])(H)3	112.4450	0.182	2	112.3863	0.027	3	113.5439	2.271	11	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<2>,2|C<4>,5|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	C(N[5]C[3x5]C[5])(H)3	112.2690	0.000	1	112.3863	0.027	3	113.5439	2.271	11	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	C(N[5]C[3x5]C[5])(H)3	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	C(N[5]C[3x5]C[5])(H)3	115.5053	0.652	3	115.5053	0.425	3	113.5439	2.271	11	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[4,5,5,6]C[3,6]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[4,5,5,6]C[3,6]C[5])(C[5]C[5]HH)(CH3){1|O<2>,4|C<4>,5|H<1>}	C[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	C(N[5]C[5,5,6]C[5])(H)3	113.5580	0.000	1	113.5580	0.000	1	113.5904	0.193	7	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6,6]C[5]C[6])(C[5]C[5]HH)(CH3){4|C<4>,6|H<1>}	C[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	C(N[5]C[5,5,6]C[5])(H)3	113.2815	0.479	2	113.2815	0.229	2	113.5904	0.193	7	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<4>,3|C<3>}	C(N[5]C[5,5,6]C[5])(H)3	113.7530	0.458	4	113.7530	0.210	4	113.5904	0.193	7	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,6]HH)(CH3)	C[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,6]HH)(CH3){1|N<2>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2{1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.5720	0.000	1	114.5720	0.000	1	114.0805	0.483	2	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2{1|O<2>,2|H<1>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.5890	0.000	1	113.5890	0.000	1	114.0805	0.483	2	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|H<1>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.3830	0.000	1	115.3830	0.000	1	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|H<1>,1|S<2>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.2280	0.000	1	114.2280	0.000	1	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.9819	0.565	8	114.8698	0.335	11	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CH3){1|H<1>,2|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.5710	0.611	3	114.8698	0.335	11	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){3|C<3>,3|C<4>}	C[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	112.1510	0.000	1	112.1510	0.000	1	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5,5]C[5])(H)3	114.6370	0.000	1	114.9243	0.282	6	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C(N[5]C[5,5]C[5])(H)3	114.9818	0.572	5	114.9243	0.282	6	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.1924	1.033	5	115.1924	1.067	5	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5,6])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	116.3835	0.053	2	116.3835	0.003	2	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|N<3>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	112.9100	0.000	1	114.2343	1.328	3	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]HH)(CH3){1|N<2>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.8965	0.158	2	114.2343	1.328	3	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]CC)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|C<2>,4|C<3>}	C[5](C[5]C[5,5]CC)(N[5]C[5,5]C)(H)2{4|C<3>}	C(N[5]C[5,5]C[5])(H)3	112.3750	0.000	1	112.3750	0.000	1	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.4903	0.617	8	114.1605	0.485	22	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.8334	0.561	11	114.1605	0.485	22	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.4807	1.005	3	114.1605	0.485	22	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2{1|Fe<10>,2|C<4>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.4070	0.000	1	114.4070	0.000	1	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.9665	0.252	2	114.4433	0.762	36	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.0100	0.398	4	114.4433	0.762	36	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<2>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|N<2>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.7510	0.000	1	114.4433	0.762	36	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,1|S<2>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.4482	0.734	21	114.4433	0.762	36	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.5407	1.464	6	114.4433	0.762	36	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]HH)(CH3){1|H<1>,1|O<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.7890	1.226	2	114.4433	0.762	36	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.8400	0.000	1	113.8400	0.000	1	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.4060	0.000	1	114.5692	1.308	39	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.3049	0.956	28	114.5692	1.308	39	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.2255	1.417	10	114.5692	1.308	39	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2{4|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.5490	0.330	2	114.5490	0.109	2	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,1|S<2>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.4870	0.000	1	113.5020	1.940	2	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|O<2>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	112.5170	0.000	1	113.5020	1.940	2	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|Br<1>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|Br<1>,1|N<3>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.3355	0.122	2	114.3461	1.188	29	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.4085	0.827	2	114.3461	1.188	29	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<2>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.7500	0.000	1	114.3461	1.188	29	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	113.5323	0.581	8	114.3461	1.188	29	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,1|N<3>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.1522	0.589	4	114.3461	1.188	29	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.0037	1.394	6	114.3461	1.188	29	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.6970	1.416	2	114.3461	1.188	29	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(CH3){1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	115.1290	0.546	4	114.3461	1.188	29	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	C(N[5]C[5,5]C[5])(H)3	114.4425	0.506	2	114.4425	0.256	2	114.4706	0.993	165	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6,6]-4:C[5]-4:C-4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2	C(N[5]C[5,6,6]C[5])(H)3	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5,6,6]HH)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,6,6]C[5])(H)3	112.0260	0.000	1	112.0260	0.000	1	112.0260	0.000	1	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3)	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(CH3){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,6]C[5])(H)3	113.7470	1.162	2	113.7470	1.351	2	113.1153	1.873	3	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CH3){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|Br<1>,2|C<4>,4|H<1>}	C(N[5]C[5,6]C[5])(H)3	111.8520	0.000	1	111.8520	0.000	1	113.1153	1.873	3	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	112.3760	0.000	1	111.1383	1.202	3	111.6093	0.699	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5,6]C[5])(H)3	110.5195	0.325	2	111.1383	1.202	3	111.6093	0.699	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(H)3	111.9040	0.000	1	111.9040	0.000	1	111.6093	0.699	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	112.7890	0.000	1	111.7109	0.652	11	111.6093	0.699	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(N[5]C[5,6]C[5])(H)3	111.8130	0.157	2	111.7109	0.652	11	111.6093	0.699	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(H)3	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CH3){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	C(N[5]C[5,6]C[5])(H)3	111.5506	0.854	8	111.7109	0.652	11	111.6093	0.699	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[3,5]HH)2(CH3)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[3,5]HH)2(CH3){1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,4|H<1>}	C(N[5]C[5]2)(H)3	112.7675	0.235	2	112.7675	0.055	2	112.7675	0.055	2	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3){1|C<4>,5|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,6|C<3>}	C(N[5]C[5]2)(H)3	112.2163	0.694	3	112.2163	0.481	3	112.2163	0.481	3	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(CH3)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(CH3){1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]C)(H)2{5|C<4>,5|H<1>}	C(N[5]C[5]2)(H)3	112.3990	0.000	1	112.3990	0.000	1	112.3990	0.000	1	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CH3){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(N[5]C[5]2)(H)3	112.4270	0.887	2	112.4270	0.786	2	112.8476	1.543	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	112.0490	1.216	2	112.6764	0.946	5	112.8476	1.543	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){2|C<2>,2|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	113.0947	0.705	3	112.6764	0.946	5	112.8476	1.543	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)2(CH3)	C[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)2(CH3){2|C<3>,2|F<1>}	C[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2{1|F<1>,1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	115.0345	1.177	2	115.0345	1.386	2	112.8476	1.543	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)2(CH3){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	112.7285	0.631	2	112.7285	0.399	2	112.8476	1.543	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]HH)(CH3){2|C<2>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<2>,3|C<3>}	C(N[5]C[5]2)(H)3	112.2380	1.106	4	112.2380	1.223	4	112.8476	1.543	15	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	113.0720	0.000	1	113.0720	0.000	1	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{1|C<4>,3|C<3>}	C(N[5]C[5]2)(H)3	112.0415	0.166	2	112.0415	0.028	2	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C(N[5]C[5]2)(H)3	111.5780	0.000	1	111.5780	0.000	1	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]CC)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){2|C<2>,2|C<3>}	C[5](C[5]C[5,5]CC)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	114.5227	0.470	3	114.5227	0.221	3	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	113.0870	0.042	2	113.0870	0.002	2	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3){1|Fe<10>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2)(H)3	111.4904	0.864	5	111.4904	0.747	5	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(H)3	114.4130	0.000	1	114.4130	0.000	1	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	112.4363	0.608	6	112.5559	0.439	9	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2)(H)3	112.7950	0.837	3	112.5559	0.439	9	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	112.2240	0.000	1	112.6227	0.592	4	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	112.7557	0.884	3	112.6227	0.592	4	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	122.5050	0.000	1	122.5050	0.000	1	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]FF)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]N[5]FF)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|F<1>}	C(N[5]C[5]2)(H)3	117.7320	0.000	1	117.7320	0.000	1	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CH3){1|C<4>,1|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{2|C<4>}	C(N[5]C[5]2)(H)3	113.6307	1.118	3	113.6307	1.250	3	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)	C[5](C[5]C[5]CN)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[5]CN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	112.4000	0.000	1	112.4000	0.000	1	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)2(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]HH)2(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	113.9790	0.000	1	113.9790	0.000	1	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CH3){1|N<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	C(N[5]C[5]2)(H)3	113.1440	0.000	1	113.1440	0.000	1	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3){1|Mg<6>,2|C<3>,3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Mg<6>,1|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	111.8670	0.000	1	111.8670	0.000	1	113.1447	4.266	37	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	C(N[5]C[5]P[5])(H)3	116.8030	0.000	1	116.8030	0.000	1	117.2475	0.395	2	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]HH)(P[5]O[5]BO)(CH3)	C[5](C[5]O[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]HH)(P[5]O[5]BO)(CH3){2|H<1>}	C[5](C[5]O[5]HH)(N[5]P[5]C)(H)2{1|B<4>,1|O<2>}	C(N[5]C[5]P[5])(H)3	117.6920	0.000	1	117.6920	0.000	1	117.2475	0.395	2	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>}	C(N[5]C[5]P[5])(H)3	118.3405	0.146	2	118.3405	0.021	2	117.2745	4.059	34	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]C[6a]N[5]Pt)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[6a]N[5]Pt)(C[5]C[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,1|C<3>,1|C<4>}	C(N[5]C[5]P[5])(H)3	116.7241	1.609	7	116.7241	2.589	7	117.2745	4.059	34	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]ClPt)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Cl<1>,1|Pt<4>,1|C<4>}	C(N[5]C[5]P[5])(H)3	118.1082	2.511	5	118.1082	6.305	5	117.2745	4.059	34	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<6>,1|C<4>,1|O<2>}	C(N[5]C[5]P[5])(H)3	117.1710	1.120	8	117.0370	1.056	10	117.2745	4.059	34	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]MoO)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Mo<8>,1|C<4>,1|O<2>}	C(N[5]C[5]P[5])(H)3	116.5010	0.028	2	117.0370	1.056	10	117.2745	4.059	34	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PdC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pd<4>,2|C<4>}	C(N[5]C[5]P[5])(H)3	117.2353	2.297	3	117.2353	5.274	3	117.2745	4.059	34	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(H)3	N[5](P[5]N[5]PtC)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Pt<4>,2|C<4>}	C(N[5]C[5]P[5])(H)3	117.2810	3.283	7	117.2810	10.778	7	117.2745	4.059	34	114.2944	3.577	299	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:2:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-2:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2)(CC)(H)2	113.3055	0.136	2	113.3055	0.019	2	113.3055	0.019	2	113.3055	0.019	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[4,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[4,5]C[3,5]C[4]2)(C[5]C[5]HH)(CC[6a]HH){1|O<2>,2|C<4>,6|H<1>}	C[5](C[5]C[3,5]HH)(N[5]C[4,5]C)(H)2{4|C<4>}	C(N[5]C[4,5]C[5])(C[6a]C[6a]2)(H)2	113.0850	0.000	1	113.0850	0.000	1	113.0850	0.000	1	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	C(N[5]C[5,5,6]C[5])(CC[6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	C(N[5]C[5,5,6]C[5])(CC[6]C)(H)2	112.4850	0.000	1	112.4850	0.000	1	112.4850	0.000	1	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(CCH)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5,5]C[5])(CCH)(H)2	112.3540	0.000	1	112.3540	0.000	1	112.3540	0.000	1	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[3,5]C[3x5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	114.1550	0.000	1	114.1550	0.000	1	113.4159	2.161	8	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	112.7390	0.000	1	112.7390	0.000	1	113.4159	2.161	8	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	115.8450	0.000	1	115.8450	0.000	1	113.4159	2.161	8	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	112.3650	0.000	1	113.2875	1.702	2	113.4159	2.161	8	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]N[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<3>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	114.2100	0.000	1	113.2875	1.702	2	113.4159	2.161	8	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	113.4585	1.050	2	112.6710	2.412	3	113.4159	2.161	8	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	111.0960	0.000	1	112.6710	2.412	3	113.4159	2.161	8	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,6,6]-4:C[5]-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(CC[6a]HH)	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(H)2	C(N[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(CC[6a]HH){1|C<3>,5|C<4>}	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	C(N[5]C[5,6,6]C[5])(C[6a]C[6a]2)(H)2	112.2600	0.000	1	112.2600	0.000	1	112.2600	0.000	1	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<3>}	C(N[5]C[5,6]C[5])(CCH)(H)2	112.5150	0.000	1	112.8350	0.205	2	115.0727	10.580	4	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6]C[5])(CCH)(H)2	113.1550	0.000	1	112.8350	0.205	2	115.0727	10.580	4	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CCI)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5])(CCI)(H)2	114.9120	0.000	1	114.9120	0.000	1	115.0727	10.580	4	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]Cr)(C[5]C[5]HH)(CCHH){2|H<1>,3|C<4>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2{1|Cr<9>,2|C<4>}	C(N[5]C[5,6]C[5])(CCH)(H)2	119.7090	0.000	1	119.7090	0.000	1	115.0727	10.580	4	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CC[6a]HH){2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	111.8190	0.000	1	111.8190	0.000	1	114.2464	6.084	5	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	112.5710	0.000	1	112.5710	0.000	1	114.2464	6.084	5	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	116.7520	1.502	2	116.7520	2.256	2	114.2464	6.084	5	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	113.3380	0.000	1	113.3380	0.000	1	114.2464	6.084	5	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH)	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C(N[5]C[5]2)(CCH)(H)2	112.1850	0.000	1	112.1850	0.000	1	112.1850	0.000	1	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH)	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH){1|F<1>,3|C<4>}	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2{1|N<3>,2|C<4>,2|F<1>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	111.7590	0.000	1	111.7590	0.000	1	111.7590	0.000	1	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH)	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(CC[6a]HH){1|F<1>,3|C<4>}	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.2430	0.000	1	112.2430	0.000	1	112.7415	2.806	6	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.9780	0.000	1	113.9780	0.000	1	112.7415	2.806	6	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[4,5]HH)2(CC[6a]HH)	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]HH)2(CC[6a]HH){2|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.5570	2.010	4	112.5570	4.039	4	112.7415	2.806	6	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	111.8610	0.000	1	111.8610	0.000	1	111.8610	0.000	1	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	110.6390	0.000	1	110.6390	0.000	1	114.0959	3.312	9	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,1|S<4>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.8915	1.380	2	113.3583	1.605	3	114.0959	3.312	9	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|S<4>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.2920	0.000	1	113.3583	1.605	3	114.0959	3.312	9	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{1|N<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	116.3180	0.000	1	115.0110	0.773	4	114.0959	3.312	9	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(H)2{2|C<4>,2|O<1>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.5753	0.145	3	115.0110	0.773	4	114.0959	3.312	9	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(CC[6a]HH)	C[5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)2(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[5](C[5,5]C[5,6a]C[5,5]N)(N[5]C[5]C)(H)2{1|S<2>,2|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	116.1050	0.000	1	116.1050	0.000	1	114.0959	3.312	9	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6,6]HH)2(CC[6a]HH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6,6]HH)2(CC[6a]HH){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.2805	1.456	2	112.2805	2.120	2	112.2805	2.120	2	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6a]HH)	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]N[5,6]C[6a]H)(C[5]C[5,6]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.7620	0.000	1	112.7620	0.000	1	112.7620	0.000	1	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[5a]HH){2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	113.7550	0.000	1	113.7550	0.000	1	113.0201	0.614	11	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	113.0332	0.742	8	113.0332	0.550	8	113.0201	0.614	11	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[5a]N[5a]2)(N[5]C[5]2)(H)2	112.6000	1.182	2	112.6000	1.398	2	113.0201	0.614	11	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.5510	0.000	1	113.5510	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.4320	0.000	1	111.2127	1.657	4	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.2170	0.000	1	111.2127	1.657	4	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	110.1010	0.066	2	111.2127	1.657	4	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	111.7460	0.000	1	112.8595	2.480	2	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.9730	0.000	1	112.8595	2.480	2	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[3]C[5]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]C[3]C[5]H)(N[5]C[5]C)(H)2{1|C<2>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.4810	0.000	1	113.4810	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	113.1750	0.000	1	113.1750	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.3168	0.805	6	112.7048	1.551	9	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	111.4807	1.101	3	112.7048	1.551	9	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.3358	0.510	5	112.3358	0.260	5	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|N<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.6060	0.000	1	112.6060	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2{1|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.4940	0.000	1	114.4940	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|S<3>}	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.3285	1.733	2	112.3285	3.004	2	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<3>,1|H<1>,1|S<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2{1|S<3>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.2650	0.000	1	112.2650	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.0006	1.441	14	113.0006	2.077	14	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH){1|C<3>,1|S<6>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|S<6>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.8280	0.000	1	113.8280	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.6660	0.365	2	113.6660	0.133	2	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.1870	1.756	8	114.1870	3.084	8	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	113.6650	2.348	2	113.6650	5.511	2	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]HH)	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6a]HH){1|C<3>,1|S<6>,2|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.0090	0.000	1	112.0090	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|N<3>,3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.9660	0.096	2	112.9660	0.009	2	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.4770	0.000	1	112.4770	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]HH){1|I<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HI)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.4080	0.000	1	112.4080	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.1130	0.000	1	113.1130	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|H<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.4880	0.000	1	113.4880	0.000	1	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.5487	0.487	4	114.5487	0.237	4	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]N[6a])(N[5]C[5]2)(H)2	114.1705	0.098	2	114.1705	0.010	2	113.0997	1.885	68	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC[6a]C)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(N[5]C[5]2)(CC[6a]C)(H)2	112.7690	0.330	2	112.7690	0.109	2	114.2083	1.485	6	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CNO)(H)2	N[5](C[5]C[6a]2O[5])(C[5]C[5]HH)(CCHH){2|H<1>,4|C<3>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	C(N[5]C[5]2)(CNO)(H)2	114.9280	0.606	4	114.9280	0.367	4	114.2083	1.485	6	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)(C[5]O[5]HH)(CN[5]HH){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C(N[5]C[5]2)2(H)2	111.2555	0.801	2	111.2555	0.642	2	114.3420	12.923	4	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CN[5]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)2(H)2	N[5](C[5]C[5]HH)2(CN[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(N[5]C[5]2)2(H)2	117.4285	0.146	2	117.4285	0.021	2	114.3420	12.923	4	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CN[5a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(N[5a]C[5a,6a]N[5a])(N[5]C[5]2)(H)2	114.9660	2.793	2	114.9660	7.801	2	114.9660	7.801	2	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[6a]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	119.1490	1.380	5	119.1490	1.904	5	118.7708	2.381	6	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5]HH)(P[5]O[5]OO)(CC[6a]HH)	C[5](C[5]C[6a]O[5]C)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]HH)(P[5]O[5]OO)(CC[6a]HH){1|C<3>,1|C<4>}	C[5](C[5]C[6a]O[5]C)(N[5]P[5]C)(H)2{1|O<1>,1|O<2>,2|C<3>}	C(N[5]C[5]P[5])(C[6a]C[6a]2)(H)2	116.8800	0.000	1	116.8800	0.000	1	118.7708	2.381	6	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[6a]HH)	C[5](C[5]N[5]CH)(N[5]S[5]C)(H)2	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC[6a]HH){1|C<3>,2|H<1>}	C[5](C[5]N[5]CH)(N[5]S[5]C)(H)2{1|H<1>,2|O<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	115.6080	0.000	1	115.6080	0.000	1	115.6080	0.000	1	113.5733	3.889	140	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:2:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-2:H-1:	N[5](C[5]C[5]HH)2(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CC)(H)	114.4400	1.033	4	114.4400	1.067	4	114.4400	1.067	4	114.4400	1.067	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)2(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)2(CC[6a]2H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	113.1920	1.721	8	113.1920	2.962	8	112.7032	2.204	13	112.7032	2.204	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[5]HH)2(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)2(CC[6a]2H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[6a]C[6a]N[6a])2(N[5]C[5]2)(H)	112.0738	0.304	4	112.0738	0.093	4	112.7032	2.204	13	112.7032	2.204	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]2H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]2H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]2)(H)	111.3100	0.000	1	111.3100	0.000	1	112.7032	2.204	13	112.7032	2.204	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:3:3:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5,5,6,6]HH)2(CC[6a]3)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)3(N[5]C[5]2)	N[5](C[5]C[5,5,6,6]HH)2(CC[6a]3){4|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{2|H<1>,6|C<3>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	119.0730	0.000	1	119.0730	0.000	1	119.0730	0.000	1	119.0730	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CHHO)(H)	116.3755	0.029	2	116.3755	0.001	2	116.3755	0.001	2	116.7500	14.998	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH){4|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2{1|H<1>,7|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	115.0890	0.000	1	115.0890	0.000	1	115.0890	0.000	1	116.7500	14.998	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){1|C<3>,1|N<2>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|N<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	116.3330	0.000	1	116.3330	0.000	1	115.7335	0.719	2	116.7500	14.998	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	115.1340	0.000	1	115.1340	0.000	1	115.7335	0.719	2	116.7500	14.998	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	113.1270	0.000	1	113.1270	0.000	1	114.0958	4.296	5	116.7500	14.998	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	116.1900	0.895	2	116.1900	0.801	2	114.0958	4.296	5	116.7500	14.998	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)2(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	N[5](C[5]C[5]HH)2(CC[6a]CH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CCHO)(H)	112.4860	1.220	2	112.4860	1.490	2	114.0958	4.296	5	116.7500	14.998	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:P-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	120.3860	0.000	1	120.3860	0.000	1	120.3860	0.000	1	116.7500	14.998	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:4:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]HH)(P[5]N[5]HO)(CC[6a]CH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	N[5](C[5]C[5]HH)(P[5]N[5]HO)(CC[6a]CH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|H<1>,1|O<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]P[5])(CC3)(H)	123.7890	3.070	2	123.7890	9.426	2	123.7890	9.426	2	116.7500	14.998	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:3:4:2:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:C-4:O-2:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	117.5325	0.124	2	117.5325	0.015	2	117.5325	0.015	2	117.5325	0.015	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(CCHH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(H)2{1|O<2>,2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	113.4700	0.532	4	113.4700	0.284	4	113.4700	0.284	4	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	N[5](C[5,6]C[5,5,6]C[6]O)(C[5]C[5]HH)(CCHH){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|O<2>,2|C<4>}	C(N[5]C[5,6]C[5])(CC[6a]HH)(H)2	111.6295	0.289	2	111.6295	0.084	2	111.3204	0.630	5	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){3|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	111.4340	0.000	1	111.4340	0.000	1	111.3204	0.630	5	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|W<7>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CH3)(H)2	111.9460	0.000	1	111.9460	0.000	1	111.3204	0.630	5	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCHH){1|S<4>,2|H<1>,4|C<4>}	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	109.9630	0.000	1	109.9630	0.000	1	111.3204	0.630	5	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6,6]HH)2(CCHH)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5,6,6]HH)2(CCHH){2|C<4>,2|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	114.3435	1.636	2	114.3435	2.675	2	114.3435	2.675	2	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH){1|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2{3|H<1>,4|C<4>}	C(N[5]C[5]2)(CHHO)(H)2	110.7930	0.000	1	110.7930	0.000	1	110.7930	0.000	1	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C(N[5]C[5]2)(CCHH)(H)2	118.2070	0.000	1	118.2070	0.000	1	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	113.3560	0.000	1	113.3560	0.000	1	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	111.7930	0.000	1	111.7930	0.000	1	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	120.8610	0.000	1	120.8610	0.000	1	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCCS)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCHH){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCCS)(H)2	117.5760	0.000	1	117.5760	0.000	1	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	113.8584	1.678	8	113.8584	2.817	8	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CN[5]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(N[5]C[5]2)(CN[5]HH)(H)2	113.7395	0.145	2	113.7395	0.021	2	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)2(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CN[6]HH)(H)2	N[5](C[5]C[5]HH)2(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(N[5]C[5]2)(CN[6]HH)(H)2	112.4725	1.655	2	112.4725	2.740	2	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCHH){3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	118.4150	0.000	1	118.4150	0.000	1	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[5a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	114.5810	0.013	2	114.5810	0.000	2	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	115.0425	1.282	4	115.0425	1.644	4	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	115.0815	1.045	4	114.5228	0.908	9	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CCHH){2|C<3>,3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	114.0758	0.659	5	114.5228	0.908	9	114.6526	4.231	33	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHN)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(NNiCH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHN){1|Ni<4>,1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Ni<4>,1|C<4>,2|H<1>}	C(N[5]C[5]2)(NNiCH)(H)2	113.2175	0.459	2	113.2175	0.211	2	113.2175	0.211	2	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N-4:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHN)	C[5](N[5]C[5]NiC)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(NNiCH)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHN){1|Ni<4>,1|C<4>,2|H<1>}	C[5](N[5]C[5]NiC)(N[5]C[5]C)(H)2{4|H<1>}	C(N[5]C[5]2)(NNiCH)(H)2	112.3600	0.109	2	112.3600	0.012	2	112.3600	0.012	2	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CCHH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CCHH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	C(N[5]C[5]P[5])(CH3)(H)2	115.7050	0.000	1	115.7050	0.000	1	115.7050	0.000	1	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[5]HH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(C[5]C[5]2Fe)(H)2	N[5](C[5]C[5]HH)(P[5]N[5]NN)(CC[5]HH){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,2|N<2>}	C(N[5]C[5]P[5])(C[5]C[5]2Fe)(H)2	115.0990	0.000	1	115.0990	0.000	1	115.0990	0.000	1	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	P[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](P[5,6]N[5,6]O[6]O)(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5,6]HH)(N[5]P[5,6]C)(H)2	C(N[5]P[5,6]C[5])(CClHH)(H)2	N[5](P[5,6]N[5,6]O[6]O)(C[5]C[5]HH)(CCHH){2|C<4>,2|H<1>}	C[5](C[5]N[5,6]HH)(N[5]P[5,6]C)(H)2{1|C<4>,1|O<1>,1|O<2>}	C(N[5]P[5,6]C[5])(CClHH)(H)2	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CCHH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CHHN)(H)2	N[5](P[5]C[6a]N[5]O)(C[5]C[5]HH)(CCHH){2|H<1>,3|C<3>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|O<1>,2|C<3>}	C(N[5]C[5]P[5])(CHHN)(H)2	120.3100	0.000	1	120.3100	0.000	1	120.3100	0.000	1	114.2152	5.088	53	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHN)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2)(CCHN)(CNO)(H)	116.4523	2.530	3	116.4523	6.399	3	116.4523	6.399	3	116.4523	6.399	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)2(H)	114.1375	1.440	2	114.1375	2.075	2	117.8045	14.098	10	118.6371	10.224	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHH)2(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(CCHH)2(H)	122.9810	0.000	1	122.9810	0.000	1	117.8045	14.098	10	118.6371	10.224	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]HH)(C[5]C[5]OU)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|U<12>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(CH3)2(H)	123.0480	0.000	1	123.0480	0.000	1	117.8045	14.098	10	118.6371	10.224	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]HH)2(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CCHN)(CCHO)(H)	N[5](C[5]C[5]HH)2(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(N[5]C[5]2)(CCHN)(CCHO)(H)	119.0965	0.791	4	119.0965	0.625	4	117.8045	14.098	10	118.6371	10.224	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]HH)2(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	N[5](C[5]C[5]HH)2(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(N[5]C[5]2)(CC[6a]HN)(CH3)(H)	113.6775	1.003	2	113.6775	1.007	2	117.8045	14.098	10	118.6371	10.224	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[5]C[5x3,5x5,20x6]N[5]Ni)(C[5]C[5]HH)(CCCH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[5x3,5x5,20x6]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,1|C<6>,2|H<1>,4|B<6>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<4>,1|C<6>}	C(N[5]C[5]P[5])(CH3)2(H)	120.5927	1.568	4	120.5927	2.459	4	119.8266	3.310	7	118.6371	10.224	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)2(H)	N[5](P[5]C[6a]N[5]Ni)(C[5]C[5]HH)(CCCH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ni<4>,1|C<3>,1|C<4>}	C(N[5]C[5]P[5])(CH3)2(H)	118.8050	1.872	3	118.8050	3.503	3	119.8266	3.310	7	118.6371	10.224	17	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:4:	C[5]-4:S[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC3)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2	C(N[5]C[5]S[5])(CH3)3	N[5](C[5]C[5]HH)(S[5]N[5]OO)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(H)2{1|C<4>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(CH3)3	115.7640	0.000	1	115.7640	0.000	1	115.7640	0.000	1	116.6653	2.564	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	3:4:4:4:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](P[5]C[3x3,4,3x5,14x6]N[5]O)(C[5]C[5]HH)(CC3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)3	N[5](P[5]C[3x3,4,3x5,14x6]N[5]O)(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>,4|B<6>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|C<4>,1|C<5>,1|O<1>}	C(N[5]C[5]P[5])(CH3)3	117.1160	1.977	2	117.1160	3.909	2	117.1160	3.909	2	116.6653	2.564	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[3]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[3]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[3]C[3]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[3]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C(C[3]C[3]2H)(N[5]C[5]2)(H)2	113.5317	0.797	3	113.5317	0.635	3	113.5317	0.635	3	113.2582	2.319	28	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[5]C[5]2C)(N[5]C[5]2)(H)2	114.7680	0.412	2	114.7680	0.169	2	113.1958	1.682	18	113.2582	2.319	28	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[5]C[5]2Fe)(N[5]C[5]2)(H)2	113.4562	0.883	8	113.4562	0.780	8	113.1958	1.682	18	113.2582	2.319	28	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[5]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[5]C[5]2H)(N[5]C[5]2)(H)2	112.5422	1.417	8	112.5422	2.009	8	113.1958	1.682	18	113.2582	2.319	28	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(CC[6]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C(C[6]C[6]O[6]C)(N[5]C[5]2)(H)2	112.8520	1.820	4	112.8520	3.311	4	112.8520	3.311	4	113.2582	2.319	28	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	P-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHP)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]HH)(CHHP){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C(PC[6a]2Ag)(N[5]C[5]2)(H)2	112.0840	0.902	2	112.0840	0.814	2	112.0840	0.814	2	113.2582	2.319	28	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:S[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[3]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[3]HH)	C[5](C[5]C[5]HH)(N[5]S[5]C)(H)2	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	N[5](C[5]C[5]HH)(S[5]C[5]OO)(CC[3]HH){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]S[5]C)(H)2{1|C<4>,1|H<1>,2|O<1>}	C(C[3]C[3]O[3]H)(N[5]C[5]S[5])(H)2	117.5340	0.000	1	117.5340	0.000	1	117.5340	0.000	1	113.2582	2.319	28	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:2:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H){2|C<4>,4|H<1>,5|C<3>}	C(N[5]C[5]2)(H)3	116.1260	0.000	1	116.1260	0.000	1	116.1260	0.000	1	116.1260	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:2:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3x6]C[6,6,6a]2C[5,6,6])(N[5]C[5]C)(O[5]C[5])(H){2|C<4>,4|H<1>,5|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	120.1710	0.000	1	120.1710	0.000	1	120.1710	0.000	1	120.1710	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:2:1:	3:3:3:3:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]CH)2(CC[6a]3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	C(C[6a]C[6a]2)3(N[5]C[5]2)	N[5](C[5]C[5]CH)2(CC[6a]3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	116.2760	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:2:1:	3:4:4:4:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-2:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3)	C[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC3){2|C<3>,2|F<1>,2|H<1>}	C[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	C(N[5]C[5]2)(CH3)3	115.2060	0.141	2	115.2060	0.020	2	115.2060	0.020	2	115.2060	0.020	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CH3){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.2250	0.092	2	114.2250	0.008	2	115.5757	5.477	3	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5]N[5]2O[5])(C[5]C[6a]C[5]H)(CH3)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5,5]N[5]2O[5])(C[5]C[6a]C[5]H)(CH3){1|H<1>,3|C<3>,4|C<4>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	C(N[5]C[5,5]C[5])(H)3	118.2770	0.000	1	118.2770	0.000	1	115.5757	5.477	3	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5,5]-4:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5,5]C[5]3)(CH3)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C(N[5]C[5,5]C[5])(H)3	N[5](C[5]C[5,6]C[6a]H)(C[5,5]C[5]3)(CH3){2|H<1>,2|O<1>,6|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	C(N[5]C[5,5]C[5])(H)3	114.4520	0.000	1	114.4520	0.000	1	114.4520	0.000	1	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[4,5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3)	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[4,5]C[6a]H)(C[5]C[6a]S[5]H)(CH3){2|C<4>,4|C<3>}	C[5](C[4,5]C[4]2S[5])(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,3|H<1>,5|C<4>}	C(N[5]C[5]2)(H)3	114.5770	0.000	1	114.5770	0.000	1	114.5770	0.000	1	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3){1|C<4>,5|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|P<4>,1|W<7>,3|H<1>,7|C<3>}	C(N[5]C[5]2)(H)3	112.5800	0.000	1	112.3860	0.293	3	112.3860	0.293	3	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3){1|C<4>,5|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<6>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C(N[5]C[5]2)(H)3	112.8040	0.000	1	112.3860	0.293	3	112.3860	0.293	3	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6,6]C[6a]H)(C[5]C[5,5,6,6]HH)(CH3){1|C<4>,5|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]C[5,6,6])(C[6a]C[6a]2)(N[5]C[5]C)(H){1|Re<7>,1|C<4>,1|P<4>,3|H<1>,7|C<3>}	C(N[5]C[5]2)(H)3	111.7740	0.000	1	112.3860	0.293	3	112.3860	0.293	3	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]CH)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]O)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)2(CH3){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(N[5]C[5]2)(H)3	115.2850	0.000	1	115.2850	0.000	1	115.2850	0.000	1	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|N<3>,2|C<3>,6|H<1>}	C(N[5]C[5]2)(H)3	113.3770	0.000	1	113.2592	0.091	4	113.2592	0.091	4	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(CH3){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[6]C[6]2)(N[5]C[5]C)(H){1|C<3>,1|N<3>,6|H<1>}	C(N[5]C[5]2)(H)3	113.2200	0.358	3	113.2592	0.091	4	113.2592	0.091	4	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]HH)(CH3)	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]HH)(CH3){2|C<2>,4|C<3>}	C[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C(N[5]C[5]2)(H)3	113.6405	1.893	4	113.6405	3.585	4	113.5326	1.877	7	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CH3)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(CH3){1|C<4>,1|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	C(N[5]C[5]2)(H)3	113.6300	0.221	2	113.6300	0.049	2	113.5326	1.877	7	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]O[5]HH)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,3|H<1>,4|C<3>}	C(N[5]C[5]2)(H)3	112.9060	0.000	1	112.9060	0.000	1	113.5326	1.877	7	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	C(N[5]C[5]2)(H)3	112.6395	0.569	6	112.6395	0.323	6	112.6267	0.271	7	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	112.5500	0.000	1	112.5500	0.000	1	112.6267	0.271	7	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3)	C[5](N[5]C[5]MgH)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(CH3){1|Mg<6>,2|C<3>,3|H<1>}	C[5](N[5]C[5]MgH)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<3>,2|C<3>,5|H<1>}	C(N[5]C[5]2)(H)3	112.2680	0.000	1	112.2680	0.000	1	112.2680	0.000	1	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:1:1:1:	P[3,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[3,5]C[3,5,5]C[3,5]W)(C[5]C[5,5]C[5a]H)(CH3)	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H)	C(N[5]P[3,5]C[5])(H)3	N[5](P[3,5]C[3,5,5]C[3,5]W)(C[5]C[5,5]C[5a]H)(CH3){1|O<2>,3|C<3>,3|C<4>}	C[5](C[5,5]C[3,5,5]C[5]C)(C[5a]C[5a]O[5a])(N[5]P[3,5]C)(H){1|H<1>,1|W<6>,3|C<3>,3|C<4>}	C(N[5]P[3,5]C[5])(H)3	119.6490	0.000	1	119.6490	0.000	1	119.6490	0.000	1	113.6644	3.240	29	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]C[6a]C[5]H)(CC[6a]HH){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	111.6107	1.425	3	111.6107	2.031	3	111.6107	2.031	3	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,5]C[5,5a]C[5,5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(H)2	114.2790	0.000	1	114.2790	0.000	1	114.2790	0.000	1	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(CC[6a]HH)	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(CC[6a]HH){1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	112.0080	0.000	1	112.0080	0.000	1	112.0080	0.000	1	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(COO)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	112.4710	0.000	1	112.4710	0.000	1	114.5425	8.582	2	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	116.6140	0.000	1	116.6140	0.000	1	114.5425	8.582	2	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]C)(H){1|N<2>,1|O<1>,2|N<3>,3|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.7620	0.078	2	114.7620	0.006	2	114.7620	0.006	2	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CC[5a]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CC[5a]HH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,4|C<3>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	114.1370	0.000	1	114.1370	0.000	1	114.1370	0.000	1	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,3|C<4>,6|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.1340	0.000	1	115.1340	0.000	1	115.1340	0.000	1	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C(N[5]C[5]2)(CCH)(H)2	115.2290	0.000	1	115.2290	0.000	1	115.2290	0.000	1	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.9945	0.120	2	115.9945	0.014	2	115.9945	0.014	2	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<4>,3|H<1>,4|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.9445	1.345	4	113.9445	1.808	4	113.9445	1.808	4	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|C<2>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.4000	0.000	1	113.4000	0.000	1	113.1353	2.517	13	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.8260	1.425	6	112.8260	2.030	6	113.1353	2.517	13	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	C(C[6a]C[6a,6a]C[6a])(N[5]C[5]2)(H)2	113.2910	0.000	1	113.2910	0.000	1	113.1353	2.517	13	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CC[6a]HH)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CC[6a]HH){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CCC)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	111.5680	0.000	1	111.5680	0.000	1	113.1353	2.517	13	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.3490	0.000	1	114.3490	0.000	1	113.1353	2.517	13	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.9370	0.000	1	114.8295	7.163	2	113.1353	2.517	13	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	116.7220	0.000	1	114.8295	7.163	2	113.1353	2.517	13	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)2(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	111.5360	0.000	1	111.5360	0.000	1	113.1353	2.517	13	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(CCHH){2|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H){1|H<1>,3|C<3>}	C(N[5]C[5]2)(CCH)(H)2	112.5580	0.000	1	112.5580	0.000	1	113.7670	2.923	2	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)(H)	C(N[5]C[5]2)(CCC)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,3|C<3>}	C(N[5]C[5]2)(CCC)(H)2	114.9760	0.000	1	114.9760	0.000	1	113.7670	2.923	2	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]N[5]H)(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(N[5]C[5]H)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5]H)(C[5]C[5]2H)(CC[6a]HH){2|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(N[5]C[5]H)(H){1|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.6870	0.000	1	114.6870	0.000	1	113.7527	0.857	3	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5]2H)(N[5]C[5]C)2(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,2|N<3>,3|H<1>}	C[5](C[5]N[5]2H)(N[5]C[5]C)2(H){4|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.2855	0.636	2	113.2855	0.404	2	113.7527	0.857	3	113.6541	2.638	36	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:3:3:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[5]CH)2(CC[6a]3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)3(N[5]C[5]2)	N[5](C[5]C[5]CH)2(CC[6a]3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<2>,3|H<1>}	C(C[6a]C[6a]2)3(N[5]C[5]2)	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	116.5380	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH)	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5,6,6]CH)(C[5]C[5,5,6,6]HH)(CC[6a]CH){4|C<3>}	C[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(COO)(H){2|H<1>,6|C<3>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	116.3770	0.000	1	116.3770	0.000	1	116.3770	0.000	1	115.6755	0.984	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:P-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HP){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(PC[6a]2O)(H)	114.9740	0.000	1	114.9740	0.000	1	114.9740	0.000	1	115.6755	0.984	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:3:4:2:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:C-4:O-2:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CF3)(OH)	120.8593	1.042	3	120.8593	1.085	3	120.8593	1.085	3	120.8593	1.085	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C(N[5]C[5,6]C[5])(CH3)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(CCHH){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|C<4>,3|C<3>,4|H<1>}	C(N[5]C[5,6]C[5])(CH3)(H)2	114.0865	0.033	2	114.0865	0.001	2	114.0865	0.001	2	114.9151	5.585	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H)	C(N[5]C[5,6]C[5])(CCHH)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5]CH)(CCHH){1|N<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H){1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5,6]C[5])(CCHH)(H)2	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	114.9151	5.585	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6]HH){1|O<2>,2|C<4>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	C(N[5]C[5,6]C[5])(C[6]C[6]2H)(H)2	115.8160	0.000	1	115.8160	0.000	1	115.8160	0.000	1	114.9151	5.585	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,5]CH)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5]CH)2(CCHH){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	111.9100	0.000	1	111.9100	0.000	1	111.9100	0.000	1	114.9151	5.585	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[6]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH)	C[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]C[6]H)(C[5]N[5]HH)(CCHH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]C)(H){1|C<3>,2|C<4>,6|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	113.1880	0.000	1	113.1880	0.000	1	113.1880	0.000	1	114.9151	5.585	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:1:1:	C[5]-4:P[5]-4:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(P[5]C[5,6]C[6a]O)(CCHH)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C(N[5]C[5]P[5])(CCHH)(H)2	N[5](C[5]C[5,6]C[6a]H)(P[5]C[5,6]C[6a]O)(CCHH){2|H<1>,6|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|O<1>,4|H<1>,5|C<3>}	C(N[5]C[5]P[5])(CCHH)(H)2	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	114.9151	5.585	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C(N[5]C[5]2)(CCHN)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	C(N[5]C[5]2)(CCHN)(CNO)(H)	116.0687	3.709	3	116.0687	13.754	3	116.0687	13.754	3	116.0687	13.754	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	B[5]-4:N[5]-3:N-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH)	C[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH){2|Br<1>,2|H<1>}	C[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H){1|C<4>,3|H<1>}	C(N[5]C[5]2)(CH3)2(H)	122.2220	0.000	1	122.2220	0.000	1	122.2220	0.000	1	117.0602	13.622	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CCCH)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>,4|C<4>}	C(N[5]C[5]2)(CH3)2(H)	117.0160	0.000	1	117.0160	0.000	1	117.0160	0.000	1	117.0602	13.622	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	C(N[5]C[5]2)(CH3)2(H)	114.5015	1.061	2	114.5015	1.127	2	114.5015	1.127	2	117.0602	13.622	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:4:4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CC3)	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CC3){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]CC)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<3>,2|H<1>,4|C<4>}	C(N[5]C[5]2)(CH3)3	114.1955	0.042	2	114.1955	0.002	2	114.1955	0.002	2	115.2723	3.480	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	3:4:4:4:	C[5]-4:P[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H)	C(N[5]C[5]P[5])(CH3)3	N[5](C[5]C[6a]C[5]H)(P[5]O[5]CO)(CC3){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]P[5]C)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C(N[5]C[5]P[5])(CH3)3	117.4260	0.000	1	117.4260	0.000	1	117.4260	0.000	1	115.2723	3.480	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5,5]CH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	C(C[5,5]N[5,5]C[5]2)(N[5]C[5]2)(CC3)(H)	119.6420	0.000	1	119.6420	0.000	1	119.6420	0.000	1	119.6420	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:3:2:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]C[5]O[5])(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]O[5])(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){3|C<4>,4|C<3>,6|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	118.9180	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3){1|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	C(N[5]C[5,5,6]C[5])(H)3	112.5980	0.376	3	113.1298	1.225	4	113.1298	1.225	4	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	C(N[5]C[5,5,6]C[5])(H)3	N[5](C[5,5,6]C[5,5,6]C[5,6]O[5])(C[5]C[5]CH)(CH3){2|Cl<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	C(N[5]C[5,5,6]C[5])(H)3	114.7250	0.000	1	113.1298	1.225	4	113.1298	1.225	4	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]CH)(CH3){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H){3|C<4>,4|H<1>}	C(N[5]C[5]2)(H)3	113.9770	0.000	1	113.9770	0.000	1	115.2105	3.043	2	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]CH)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CH)2(CH3){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(H)3	116.4440	0.000	1	116.4440	0.000	1	115.2105	3.043	2	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CH3){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C(N[5]C[5]2)(H)3	111.7320	0.000	1	111.7320	0.000	1	113.9199	1.438	23	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	C(N[5]C[5]2)(H)3	113.5313	0.977	3	113.5313	0.954	3	113.9199	1.438	23	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)2(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)2(CH3){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	115.1180	0.000	1	115.1180	0.000	1	113.9199	1.438	23	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)2(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CH)2(CH3){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,3|H<1>}	C(N[5]C[5]2)(H)3	114.3170	0.000	1	114.3170	0.000	1	113.9199	1.438	23	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	114.1310	0.625	4	113.9696	0.242	7	113.9199	1.438	23	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	113.8600	0.000	1	113.9696	0.242	7	113.9199	1.438	23	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	113.7015	0.144	2	113.9696	0.242	7	113.9199	1.438	23	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C(N[5]C[5]2)(H)3	113.8490	0.000	1	113.8490	0.000	1	113.9199	1.438	23	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(N[5]C[5]2)(H)3	114.0205	1.727	8	114.0205	2.982	8	113.9199	1.438	23	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CH3){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(N[5]C[5]2)(H)3	114.5960	0.000	1	114.5960	0.000	1	113.9199	1.438	23	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:P[5,5]-4:C-4:	C[5]-4:N[5]-3:C[6]-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3)	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H)	C(N[5]P[5,5]C[5])(H)3	N[5](C[5]C[5]C[6]H)(P[5,5]N[5]3)(CH3){2|C<3>,3|H<1>,5|C<4>}	C[5](C[5]C[6a]2N[5])(N[5]P[5,5]C)(C[6]C[6]2H)(H){2|C<4>,2|N<3>,4|C<3>,5|H<1>}	C(N[5]P[5,5]C[5])(H)3	121.3790	0.000	1	121.3790	0.000	1	121.3790	0.000	1	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	C[5]-4:P[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C(N[5]C[5]P[5])(H)3	N[5](C[5]C[5]CH)(P[5]O[5]CO)(CH3){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]P[5])(H)3	119.4197	1.251	4	119.4197	1.566	4	119.4197	1.566	4	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:1:1:1:	P[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3)	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H)	C(N[5]C[5]P[5])(H)3	N[5](P[5]C[5]O[5]O)(C[5]C[5]CH)(CH3){1|Fe<10>,1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[6a]O[5]H)(N[5]P[5]C)(CH3)(H){1|C<4>,1|O<1>,2|C<3>}	C(N[5]C[5]P[5])(H)3	118.3700	1.810	3	118.3700	3.274	3	118.3700	3.274	3	115.0612	6.757	37	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:2:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-2:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(CC)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	C(N[5]C[5]2)(CC)(H)2	115.6020	0.462	2	115.6020	0.214	2	115.6020	0.214	2	115.6020	0.214	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	C(N[5]C[5,6]C[5])(CCH)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCHH){3|O<2>,4|H<1>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5,6]C[5])(CCH)(H)2	113.1850	0.000	1	113.1850	0.000	1	113.1850	0.000	1	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){3|O<2>,4|H<1>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	113.5530	3.498	3	113.5530	12.234	3	113.3340	8.348	4	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]HH){3|O<2>,4|H<1>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(H)2	112.6770	0.000	1	112.6770	0.000	1	113.3340	8.348	4	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CC[6a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(CC[6a]HH){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H){1|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.6280	0.000	1	115.6280	0.000	1	115.6280	0.000	1	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[3x6]O[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	117.8310	0.000	1	117.8310	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<3>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.4300	0.000	1	115.4300	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.7740	0.000	1	112.7740	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.9065	0.131	2	113.9065	0.017	2	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H){1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.2160	0.000	1	113.2160	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]HH){1|N<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.2626	1.640	5	112.2626	2.691	5	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]HH){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHS)(H){2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.4500	0.000	1	115.4500	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.5630	0.000	1	119.5630	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)2(CC[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHN)(H){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.8050	0.000	1	114.8050	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)2(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	119.2120	0.000	1	119.2120	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)2(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.2850	0.000	1	115.2850	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)2(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<3>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	117.8040	0.000	1	115.8225	2.538	4	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)2(CC[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)2(CC[6a]HH){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.1620	1.090	3	115.8225	2.538	4	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.6630	0.000	1	113.6630	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	112.9140	0.000	1	112.9140	0.000	1	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CC[6a]HH){2|C<3>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.9650	0.065	2	113.9650	0.004	2	114.6037	5.248	24	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-3:H-1:H-1:	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH)	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H)	C(N[5]C[5]2)(CCH)(H)2	N[5](C[5]C[3,5]HH)(C[5]C[5]CH)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[5]C[3,5]C[6a]H)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CCH)(H)2	112.1890	0.000	1	112.1890	0.000	1	112.1890	0.000	1	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:S[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:H-1:H-1:	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H)	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC[6a]HH){1|C<3>,2|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]S[5]C)(CC[6a]HH)(H){1|H<1>,2|C<3>,2|O<1>}	C(N[5]C[5]S[5])(C[6a]C[6a]2)(H)2	120.3985	0.353	2	120.3985	0.125	2	120.3985	0.125	2	114.7159	7.123	33	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C[6a]-3:C-4:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H)	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CC[6a]CH){1|C<3>,2|O<2>,4|H<1>}	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C(N[5]C[5,5]C[5])(C[6a]C[6a]2)(CH3)(H)	116.8870	0.000	1	116.8870	0.000	1	116.8870	0.000	1	115.3610	1.640	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(CH3)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){1|C<3>,1|N<2>,2|C<4>}	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(CH3)(H){1|N<2>,2|C<4>,2|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	116.3920	0.000	1	116.3920	0.000	1	115.3170	2.311	2	115.3610	1.640	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(CC[6a]CH){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H){1|C<4>,1|O<2>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	114.2420	0.000	1	114.2420	0.000	1	115.3170	2.311	2	115.3610	1.640	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CHHO)(H)	114.6400	1.587	2	114.6400	2.518	2	114.8817	1.434	3	115.3610	1.640	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]CH){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(CH3)(H)	115.3650	0.000	1	115.3650	0.000	1	114.8817	1.434	3	115.3610	1.640	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2H)(CCHH)	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H)	C(N[5]C[5,5]C[5])(CCHH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]2H)(CCHH){2|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C(N[5]C[5,5]C[5])(CCHH)(H)2	117.4347	0.801	3	117.4347	0.642	3	117.4347	0.642	3	115.7444	2.720	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH)	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(CHHO)(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,6]HH)(CCHH){1|H<1>,3|C<4>}	C[5](C[5,5,6]C[5,6]2C[5])(N[5]C[5]C)(CCHH)(H){3|C<4>,7|H<1>}	C(N[5]C[5]2)(CHHO)(H)2	115.0550	0.000	1	115.0550	0.000	1	115.0550	0.000	1	115.7444	2.720	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5,5]CH)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5,5]CH)2(CCHH){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	113.5890	0.000	1	113.5890	0.000	1	113.5890	0.000	1	115.7444	2.720	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	115.5430	0.000	1	115.5430	0.000	1	115.4661	2.435	8	115.7444	2.720	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C(N[5]C[5]2)(CCCO)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	C(N[5]C[5]2)(CCCO)(H)2	114.8890	0.000	1	114.8890	0.000	1	115.4661	2.435	8	115.7444	2.720	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CH)2(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(CCHO)(H)2	N[5](C[5]C[5]CH)2(CCHH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	C(N[5]C[5]2)(CCHO)(H)2	113.4800	0.461	2	113.4800	0.213	2	115.4661	2.435	8	115.7444	2.720	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){1|C<3>,1|N<2>,3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	117.3400	1.095	2	116.5842	1.202	4	115.4661	2.435	8	115.7444	2.720	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H)	C(N[5]C[5]2)(CHHN)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(CCHH){2|C<3>,3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	C(N[5]C[5]2)(CHHN)(H)2	115.8285	0.351	2	116.5842	1.202	4	115.4661	2.435	8	115.7444	2.720	13	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH)	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]B[5]HN)(C[5]C[5]CH)(CCCH){2|Br<1>,2|H<1>}	C[5](C[5]B[5]HH)(N[5]C[5]C)(CH3)(H){2|Br<1>,1|H<1>,1|N<3>}	C(N[5]C[5]2)(CH3)2(H)	120.0620	0.000	1	120.0620	0.000	1	115.3610	16.642	3	115.3610	16.642	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(CCCH){1|H<1>,3|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	C(N[5]C[5]2)(CH3)2(H)	113.0105	0.367	2	113.0105	0.135	2	115.3610	16.642	3	115.3610	16.642	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:4:4:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CC3)	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H)	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CC3){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(CC[5]HH)(H){2|C<4>,2|H<1>}	C(N[5]C[5]2)(CH3)3	118.6460	0.000	1	118.6460	0.000	1	118.6460	0.000	1	120.2378	2.731	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:4:4:	C[5]-4:S[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3)	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H)	C(N[5]C[5]S[5])(CH3)3	N[5](C[5]C[5]CH)(S[5]N[5]OO)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]N[5]CH)(N[5]S[5]C)(CCHH)(H){1|C<4>,2|O<1>}	C(N[5]C[5]S[5])(CH3)3	122.5590	0.000	1	122.5590	0.000	1	122.5590	0.000	1	120.2378	2.731	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	3:4:4:4:	Si[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](Si[5]N[5]HO)(C[5]C[5]CH)(CC3)	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H)	C(N[5]Si[5]C[5])(CH3)3	N[5](Si[5]N[5]HO)(C[5]C[5]CH)(CC3){1|H<1>,2|C<4>}	C[5](C[5]N[5]CH)(N[5]Si[5]C)(CH3)(H){1|C<4>,1|H<1>,1|O<2>}	C(N[5]Si[5]C[5])(CH3)3	119.8730	0.076	2	119.8730	0.006	2	119.8730	0.006	2	120.2378	2.731	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[3]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[3]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C(C[3]C[3]2H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[3]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	C(C[3]C[3]2H)(N[5]C[5]2)(H)2	115.4827	1.461	3	115.4827	2.135	3	115.4827	2.135	3	115.4827	2.135	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:3:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CH3){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	C(N[5]C[5]2)(H)3	116.5625	0.199	2	116.5625	0.039	2	117.1718	1.093	4	117.1188	0.834	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:3:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CH3){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C(N[5]C[5]2)(H)3	117.7810	1.325	2	117.7810	1.756	2	117.1718	1.093	4	117.1188	0.834	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:3:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-3:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)(COO)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)(COO){4|H<1>}	C(N[5]C[5]2)(H)3	116.9070	0.000	1	116.9070	0.000	1	116.9070	0.000	1	117.1188	0.834	5	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[4,5]-4:N[5]-3:C-4:C-3:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH)	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[4,5]CC)(C[5]C[4,5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO){1|C<3>,3|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	118.1670	0.000	1	118.1670	0.000	1	118.1670	0.000	1	118.7600	0.703	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CC[5a]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(COO)	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CC[5a]HH){2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C(C[5a]C[5a]N[5a])(N[5]C[5]2)(H)2	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	118.7600	0.703	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:3:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-3:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCHH){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	119.3260	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:4:	3:4:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)2(H)	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CCCH){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)2(H)	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:4:	3:4:4:4:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CC3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]2H)(C[5]C[5]CC)(CC3){2|C<4>,2|H<1>,2|N<3>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)3	123.1045	0.610	2	123.1045	0.372	2	123.3145	1.788	4	123.3145	1.788	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:4:	3:4:4:4:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CC3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CC3){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|H<1>,3|C<4>}	C(N[5]C[5]2)(CH3)3	121.9730	0.000	1	121.9730	0.000	1	123.3145	1.788	4	123.3145	1.788	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:3:4:4:	3:4:4:4:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:C-4:C-4:C-4:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CC)(CC3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	C(N[5]C[5]2)(CH3)3	N[5](C[5]C[5a]C[5]H)(C[5]C[5]CC)(CC3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C(N[5]C[5]2)(CH3)3	125.0760	0.000	1	125.0760	0.000	1	123.3145	1.788	4	123.3145	1.788	4	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[4]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3)	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[4]C[4]N[4]H)(C[5]C[5]CH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C(N[5]C[5]2)(H)3	114.0350	0.000	1	114.0350	0.000	1	114.0350	0.000	1	113.9070	3.052	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:C[4]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3)	C[5](C[5,5]C[5]2N[5])(C[4]C[4]N[4]H)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5,5]C[4]H)(C[5]C[5]HH)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(C[4]C[4]N[4]H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C(N[5]C[5]2)(H)3	115.3680	0.000	1	115.3680	0.000	1	115.3680	0.000	1	113.9070	3.052	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:1:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3)	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(H)3	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CH3){1|Fe<10>,2|C<4>,4|H<1>}	C[5](C[5]C[5]2Fe)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<4>,5|H<1>}	C(N[5]C[5]2)(H)3	113.5892	1.978	5	113.5892	3.913	5	113.5892	3.913	5	113.9070	3.052	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<4>,6|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.6960	0.000	1	113.6960	0.000	1	113.2399	3.141	7	113.2399	3.141	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]CH)(N[5]C[5]C)(H){1|O<2>,2|C<4>,5|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	114.6030	0.000	1	114.6030	0.000	1	113.2399	3.141	7	113.2399	3.141	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.1470	0.000	1	114.5010	3.667	2	113.2399	3.141	7	113.2399	3.141	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,1|N<3>,1|O<2>,5|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	115.8550	0.000	1	114.5010	3.667	2	113.2399	3.141	7	113.2399	3.141	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<4>,5|H<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|Ga<4>,3|C<4>,6|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	111.6070	0.000	1	111.0755	0.565	2	113.2399	3.141	7	113.2399	3.141	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH)	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]HH){1|C<4>,1|N<4>,5|H<1>}	C[5](C[5]N[5,6]C[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|In<4>,3|C<4>,6|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	110.5440	0.000	1	111.0755	0.565	2	113.2399	3.141	7	113.2399	3.141	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]N[5]H)(C[5]C[5]2H)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(C[5]C[5]2Fe)(N[5]C[5]C)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	N[5](C[5]C[5]N[5]H)(C[5]C[5]2H)(CC[6a]HH){2|Fe<10>,1|C<3>,2|H<1>,4|C<4>}	C[5](C[5]C[6a]N[5]H)(C[5]C[5]2Fe)(N[5]C[5]C)(H){2|C<3>,3|C<4>,4|H<1>}	C(C[6a]C[6a]2)(N[5]C[5]2)(H)2	113.2270	0.000	1	113.2270	0.000	1	113.2399	3.141	7	113.2399	3.141	7	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]2H)2(CCHH)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]2H)2(CCHH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,2|C<4>,5|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	120.3680	0.000	1	120.3680	0.000	1	117.8120	13.066	2	117.8120	13.066	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](C[5]C[5]2H)2(CCHH)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C(N[5]C[5]2)(CCHH)(H)2	N[5](C[5]C[5]2H)2(CCHH){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C(N[5]C[5]2)(CCHH)(H)2	115.2560	0.000	1	115.2560	0.000	1	117.8120	13.066	2	117.8120	13.066	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:	3:4:4:1:	3:4:4:4:	Si[3,3,5]-5:C[5]-4:C-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](Si[3,3,5]Si[3,3,5]N[5]O[3]2)(C[5]C[5]CH)(CC3)	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H)	C(N[5]Si[3,3,5]C[5])(CH3)3	N[5](Si[3,3,5]Si[3,3,5]N[5]O[3]2)(C[5]C[5]CH)(CC3){1|H<1>,2|C<4>,2|N<3>}	C[5](N[5]Si[3,3,5]C)(C[5]N[5]CH)(CH3)(H){1|Si<5>,1|C<4>,2|O<2>}	C(N[5]Si[3,3,5]C[5])(CH3)3	117.0660	0.622	2	117.0660	0.387	2	117.0660	0.387	2	117.0660	0.387	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:	4:3:1:1:	3:1:1:1:	P[3x5]-5:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:H-1:H-1:H-1:	N[5](P[3x5]N[3x5]N[5]2N)(C[5]C[5]HH)(CH3)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	C(N[5]P[3x5]C[5])(H)3	N[5](P[3x5]N[3x5]N[5]2N)(C[5]C[5]HH)(CH3){2|H<1>,6|C<4>}	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|N<2>,2|C<4>,2|N<3>}	C(N[5]P[3x5]C[5])(H)3	111.4782	0.836	6	111.4782	0.699	6	111.4782	0.699	6	111.4782	0.699	6	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:	4:3:1:1:	3:4:1:1:	P[3x5]-5:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:H-1:H-1:	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	C(N[5]P[3x5]C[5])(CCCH)(H)2	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCHH){2|H<1>,6|C<4>}	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	C(N[5]P[3x5]C[5])(CCCH)(H)2	114.2995	0.945	2	114.2995	0.894	2	114.2995	0.894	2	114.2995	0.894	2	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:	4:3:1:1:	3:4:4:1:	P[3x5]-5:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:H-1:	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH)	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2	C(N[5]P[3x5]C[5])(CH3)2(H)	N[5](P[3x5]N[3x5]N[5]2H)(C[5]C[5]HH)(CCCH){2|H<1>,6|C<4>}	C[5](C[5]N[3x5]HH)(N[5]P[3x5]C)(H)2{1|H<1>,2|C<4>,2|N<3>}	C(N[5]P[3x5]C[5])(CH3)2(H)	116.5417	0.318	3	116.5417	0.101	3	116.5417	0.101	3	116.5417	0.101	3	114.9138	8.098	1357	115.7970	10.561	2148
542	474	490	0:SP3_SP3_SP3	N[5]	C[5]	C	5:4:4:	4:3:1:1:	3:4:4:4:	P[5]-5:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:C-4:C-4:	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3)	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2	C(N[5]C[5]P[5])(CH3)3	N[5](P[5]N[5]CeNN)(C[5]C[5]HH)(CC3){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]P[5]C)(H)2{1|Ce<8>,1|C<4>,1|N<2>,1|N<3>}	C(N[5]C[5]P[5])(CH3)3	115.8140	0.000	1	115.8140	0.000	1	115.8140	0.000	1	115.8140	0.000	1	114.9138	8.098	1357	115.7970	10.561	2148