542	466	478	6:SP2_SP3_SP3	N[5,6]	C[6]	C[4,5,5,6]	4:3:4:	3:2:1:1:	4:3:3:4:	C[4,5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:O[6]-2:H-1:H-1:	C[4,5,5,6]-4:N[5,6]-3:N[5,6]-3:C[4]-4:	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH)	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2	C[4,5,5,6](C[4,5,5,6]N[5,6]2C[4])(N[5,6]C[5]C[6])2(C[4]C[4]HH)	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[4,5,5,6](C[4,5,5,6]N[5,6]2C[4])(N[5,6]C[5]C[6])2(C[4]C[4]HH){1|O<2>,2|C<4>,2|O<1>,6|H<1>}	116.5750	0.149	4	116.5750	0.022	4	116.5750	0.022	4	116.5750	0.022	4	116.5750	0.022	4	118.3822	8.152	6
542	466	478	6:SP2_SP3_SP3	N[5,6]	C[6]	C[4,5,6]	4:3:4:	3:4:3:1:	3:4:3:4:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:N[5,6]-3:C[5]-4:	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC){1|C<4>,3|H<1>,6|C<3>}	122.8630	0.000	1	121.9965	1.502	2	121.9965	1.502	2	121.9965	1.502	2	121.9965	1.502	2	118.3822	8.152	6
542	466	478	6:SP2_SP3_SP3	N[5,6]	C[6]	C[4,5,6]	4:3:4:	3:4:3:1:	3:4:3:4:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:N[5,6]-3:C[5]-4:	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,4|C<4>,6|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<4>,4|H<1>,6|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC){1|C<4>,3|H<1>,6|C<3>}	121.1300	0.000	1	121.9965	1.502	2	121.9965	1.502	2	121.9965	1.502	2	121.9965	1.502	2	118.3822	8.152	6
542	466	478	6:SP3_SP3_SP3	N[5,6]	C[6]	C[4,5,6]	4:3:4:	3:4:3:1:	3:4:3:4:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:N[5,6]-3:C[5]-4:	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	C[4,5,6](C[4,6a]C[4,6a]C[6a])(C[4,6]C[4,6a]C[6]H)(N[5,6]C[5,6a]C[6])(C[5]C[5,6a]CC){1|C<4>,3|H<1>,6|C<3>}	122.7695	0.094	2	122.7695	0.009	2	122.7695	0.009	2	122.7695	0.009	2	121.1540	7.834	3	121.1540	7.834	3
542	466	478	6:SP3_SP3_SP3	N[5,6]	C[6]	C[4,5,6]	4:4:3:	3:4:1:1:	4:4:3:3:	C[4,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[4,5]-4:C[4,6]-4:N[5,6]-3:C-3:	N[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(N[5,6]C[5]C[6])(CNO)	N[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[4,5,6](C[4,5]C[4]C[5]H)(C[4,6]C[4]C[6]H)(N[5,6]C[5]C[6])(CNO){1|C<3>,1|C<4>,7|H<1>}	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	121.1540	7.834	3	121.1540	7.834	3
542	466	486	6:SP2_SP3_SP3	N[5,6]	C[6]	C[3,5,6,6]	4:4:3:	3:4:1:1:	4:4:4:3:	C[3,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3,6,6]-4:C[3]-4:C[5,6]-4:N[5,6]-3:	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,4|C<4>,5|H<1>}	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[3,5,6,6](C[3,6,6]C[3]C[6]2)(C[3]C[3,6,6]ClH)(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6]){10|H<1>,1|O<1>,2|C<4>}	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1	121.7820	0.000	1
542	466	542	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	3:4:3:	3:3:3:1:	3:3:1:	C[5,6]-3:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H){2|H<1>,3|C<3>}	122.3650	0.000	1	122.3650	0.000	1	122.3650	0.000	1	122.3650	0.000	1	122.3650	0.000	1	119.9832	3.115	8
542	466	542	0:SP2_SP2_SP3	N[5]	C[6]	N[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H)	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H)	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	N[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,3|H<1>}	119.7333	1.731	6	119.7333	2.996	6	119.7333	2.996	6	119.7333	2.996	6	119.6430	2.554	7	119.9832	3.115	8
542	466	542	0:SP2_SP2_SP3	N[5]	C[6]	N[5]	4:3:3:	3:4:2:1:	3:3:1:	C[6]-4:C[5]-3:N[5]-3:	N[5]-3:C[6]-4:O[6]-2:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H)	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H)	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H)	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	119.6430	2.554	7	119.9832	3.115	8
542	466	542	0:SP3_SP2_SP3	N[5,6]	C[6,6]	N[5]	4:4:3:	3:4:4:1:	4:3:3:	C[6,6]-4:C[5,6]-4:N[5]-3:	N[5,6]-3:C[3x6]-4:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C-3:	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C)	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H)	N[5](C[5,6]C[5,6,6]C[6]C)(N[5,6]C[5,6]C[6,6])(CC[6a]O)	N[5,6](C[6,6]C[3x6]C[6]H)(C[5,6]C[5,6,6]HH)(N[5]C[5,6]C){4|H<1>,5|C<4>}	C[6,6](N[5,6]C[5,6]N[5])(C[3x6]C[6,6]2H)(C[6]C[6]HH)(H){1|C<3>,5|C<4>,6|H<1>}	N[5](C[5,6]C[5,6,6]C[6]C)(N[5,6]C[5,6]C[6,6])(CC[6a]O){4|C<4>,6|H<1>}	109.5690	0.000	2	109.5690	0.000	2	109.5690	0.000	2	109.5690	0.000	2	109.5690	0.000	2	109.9007	1.087	13
542	466	542	0:SP3_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:3:4:4:	3:3:4:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	N[5,6]-3:C[5]-3:C-4:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){3|C<3>,3|C<4>,5|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]HH){1|C<3>,3|C<4>,3|H<1>}	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	109.8576	1.289	10	109.9007	1.087	13
542	466	542	0:SP3_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,5|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	108.5710	0.000	1	108.5710	0.000	1	109.8608	0.752	6	109.8608	0.752	6	109.8576	1.289	10	109.9007	1.087	13
542	466	542	0:SP3_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	110.7990	0.000	2	110.1188	0.440	5	109.8608	0.752	6	109.8608	0.752	6	109.8576	1.289	10	109.9007	1.087	13
542	466	542	0:SP3_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|O<1>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,4|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	109.6653	0.331	3	110.1188	0.440	5	109.8608	0.752	6	109.8608	0.752	6	109.8576	1.289	10	109.9007	1.087	13
542	466	542	0:SP3_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){3|C<4>,4|H<1>}	108.8190	0.000	1	108.8190	0.000	1	109.7070	3.796	3	109.7070	3.796	3	109.8576	1.289	10	109.9007	1.087	13
542	466	542	0:SP3_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){3|H<1>,4|C<4>}	111.9410	0.000	1	111.9410	0.000	1	109.7070	3.796	3	109.7070	3.796	3	109.8576	1.289	10	109.9007	1.087	13
542	466	542	0:SP3_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	108.3610	0.000	1	108.3610	0.000	1	109.7070	3.796	3	109.7070	3.796	3	109.8576	1.289	10	109.9007	1.087	13
542	466	542	0:SP3_SP2_SP3	N[5]	C[6]	N[5]	4:4:3:	3:3:2:1:	3:3:1:	C[6]-4:C[5]-4:N[5]-3:	C[6,6a]-3:N[5]-3:O[6]-2:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H)	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H)	N[5](C[6]C[6,6a]O[6]H)(C[5]C[5]CC)(N[5]C[5]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]N[5])(O[6]C[6])(H){1|H<1>,4|C<3>,5|C<4>}	N[5](N[5]C[5]C[6])(C[5]C[5]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	110.9950	0.000	1	109.9007	1.087	13
542	466	542	0:SP3_SP3_SP3	N[5,6,6]	C[6,6]	N[5]	4:4:3:	3:3:2:1:	3:4:4:	C[5,6,6]-4:C[6,6]-4:N[5]-3:	N[5,6,6]-3:C[6,6a]-3:O[6]-2:H-1:	N[5,6,6]-3:C[5]-4:S-4:	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S)	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H)	N[5](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(SC[6a]OO)	N[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6,6a]O[6]H)(N[5]C[5]S){1|C<4>,3|C<3>,3|H<1>}	C[6,6](N[5,6,6]C[5,6,6]N[5])(C[6,6a]C[6,6a]C[6a])(O[6]C[6])(H){1|S<4>,2|C<4>,3|H<1>,4|C<3>}	N[5](N[5,6,6]C[5,6,6]C[6,6])(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	106.7320	0.000	1	106.7320	0.000	1	106.7320	0.000	1	106.7320	0.000	1	106.7320	0.000	1	110.1978	3.730	9
542	466	542	0:SP3_SP3_SP3	N[5,6]	C[6]	N[5]	4:3:4:	3:4:1:1:	4:3:4:	C[5,6]-4:N[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:S-4:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](C[5,5]C[5,5]N[5]H)(N[5,6]C[5,6]C[6])(SC[6a]OO)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(N[5]C[5,5]S)(C[6]C[6]HH){2|N<3>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|S<4>,2|C<3>,2|C<4>}	N[5](C[5,5]C[5,5]N[5]H)(N[5,6]C[5,6]C[6])(SC[6a]OO){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	110.5690	0.000	1	110.6310	2.333	8	110.1978	3.730	9
542	466	542	0:SP3_SP3_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:3:4:4:	3:3:1:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6a]-3:C[6]-4:C-4:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H)	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]C)(N[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(CH3){2|C<4>,3|C<3>,6|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]O)(H){1|C<3>,3|C<4>,3|H<1>}	112.9210	0.000	1	112.9210	0.000	1	112.9210	0.000	1	112.9210	0.000	1	110.6310	2.333	8	110.1978	3.730	9
542	466	542	0:SP3_SP3_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){3|C<4>,4|H<1>}	111.8780	0.000	1	111.8780	0.000	1	110.2597	2.051	6	110.2597	2.051	6	110.6310	2.333	8	110.1978	3.730	9
542	466	542	0:SP3_SP3_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|C<3>,4|H<1>}	108.2570	0.000	1	108.6335	0.284	2	110.2597	2.051	6	110.2597	2.051	6	110.6310	2.333	8	110.1978	3.730	9
542	466	542	0:SP3_SP3_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	109.0100	0.000	1	108.6335	0.284	2	110.2597	2.051	6	110.2597	2.051	6	110.6310	2.333	8	110.1978	3.730	9
542	466	542	0:SP3_SP3_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){1|C<2>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC[6a]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	110.4730	0.717	2	110.4730	0.514	2	110.2597	2.051	6	110.2597	2.051	6	110.6310	2.333	8	110.1978	3.730	9
542	466	542	0:SP3_SP3_SP3	N[5,6]	C[6]	N[5]	4:4:3:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CC[6a]O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(N[5]C[5]C){4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,2|C<4>,3|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CC[6a]O){1|C<4>,4|C<3>,4|H<1>}	111.4670	0.000	1	111.4670	0.000	1	110.2597	2.051	6	110.2597	2.051	6	110.6310	2.333	8	110.1978	3.730	9
542	466	542	6:SP2_SP2_SP3	N[5,6,6]	C[3x6]	N[5,6,6]	4:3:3:	3:3:3:1:	7:3:3:	C[3x6]-4:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:N[5,6,6]-3:C[6,6]-3:H-1:	Nb[3,3x6]-7:N[5,6,6]-3:C[5]-3:	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C)	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H)	N[5,6,6](Nb[3,3x6]N[5,6,6]O[6,6]C[3]2Cl2)(N[5,6,6]C[3x6]C[5])(C[5]C[5]C)	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H){1|Nb<7>,2|C<4>,4|C<3>}	N[5,6,6](Nb[3,3x6]N[5,6,6]O[6,6]C[3]2Cl2)(N[5,6,6]C[3x6]C[5])(C[5]C[5]C){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.5525	1.391	2	119.5525	1.935	2	119.5525	1.935	2	119.5525	1.935	2	119.5525	1.935	2	121.1178	4.678	12
542	466	542	6:SP2_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	121.9650	0.000	1	121.9650	0.000	1	122.4888	1.599	5	121.4308	4.849	10	121.4308	4.849	10	121.1178	4.678	12
542	466	542	6:SP2_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cu)(C[6]C[6]HH)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cu<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cu)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	124.1780	0.000	1	124.1780	0.000	1	122.4888	1.599	5	121.4308	4.849	10	121.4308	4.849	10	121.1178	4.678	12
542	466	542	6:SP2_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	122.7325	0.646	2	122.7325	0.417	2	122.4888	1.599	5	121.4308	4.849	10	121.4308	4.849	10	121.1178	4.678	12
542	466	542	6:SP2_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	120.8360	0.000	1	120.8360	0.000	1	122.4888	1.599	5	121.4308	4.849	10	121.4308	4.849	10	121.1178	4.678	12
542	466	542	6:SP2_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:3:4:	3:4:1:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	119.0000	0.000	1	119.0000	0.000	1	120.3728	6.514	5	121.4308	4.849	10	121.4308	4.849	10	121.1178	4.678	12
542	466	542	6:SP2_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:3:4:	3:4:1:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cu)(C[6]C[6]HH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Cu)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Cu<2>,1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cu<2>,1|C<4>,2|C<3>,5|H<1>}	117.2610	0.000	1	117.2610	0.000	1	120.3728	6.514	5	121.4308	4.849	10	121.4308	4.849	10	121.1178	4.678	12
542	466	542	6:SP2_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:3:4:	3:4:1:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	122.8890	1.235	2	122.8890	1.524	2	120.3728	6.514	5	121.4308	4.849	10	121.4308	4.849	10	121.1178	4.678	12
542	466	542	6:SP2_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:3:4:	3:4:1:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	119.8250	0.000	1	119.8250	0.000	1	120.3728	6.514	5	121.4308	4.849	10	121.4308	4.849	10	121.1178	4.678	12
542	466	542	6:SP2_SP3_SP3	N[5,6]	C[6]	N[5,6]	3:3:4:	3:4:1:1:	3:3:4:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|Pd<4>,1|C<4>,2|C<3>,2|H<1>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	118.1350	0.000	1	118.1350	0.000	1	118.1350	0.000	1	118.1350	0.000	1	116.8230	2.287	4	116.8230	2.287	4
542	466	542	6:SP2_SP3_SP3	N[5,6]	C[6]	N[5,6]	3:4:3:	3:3:1:1:	4:3:4:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,3|C<3>,6|H<1>}	116.0690	0.000	1	116.0690	0.000	1	116.0690	0.000	1	116.0690	0.000	1	116.8230	2.287	4	116.8230	2.287	4
542	466	542	6:SP2_SP3_SP3	N[5,6]	C[6]	N[5,6]	3:4:3:	3:3:1:1:	4:4:3:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,4|H<1>,6|C<3>}	115.0580	0.000	1	115.0580	0.000	1	115.0580	0.000	1	115.0580	0.000	1	116.8230	2.287	4	116.8230	2.287	4
542	466	542	6:SP2_SP3_SP3	N[5,6]	C[6]	N[5,6]	3:4:3:	3:4:2:1:	4:4:3:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6])	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|S<2>,2|C<3>,6|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H){1|O<1>,3|C<4>}	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	116.8230	2.287	4	116.8230	2.287	4
542	466	542	6:SP3_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:3:4:	3:4:1:1:	3:3:4:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]Pd)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	119.8780	0.000	1	109.8034	15.820	11	109.8034	15.820	11
542	466	542	6:SP3_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:4:4:	3:3:2:1:	3:3:3:	N[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:O-2:H-1:	N[5,6]-3:C[6]-3:C[5]-3:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HO)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(OH)(H){1|H<1>,3|C<4>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	108.1290	0.000	1	109.8034	15.820	11	109.8034	15.820	11
542	466	542	6:SP3_SP2_SP3	N[5,6]	C[6]	N[5,6]	3:4:4:	3:3:4:1:	3:3:3:	N[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	N[5,6]-3:C[6]-3:C[5]-3:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(CCHH)(H){1|H<1>,3|C<4>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]C)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	112.9670	0.000	1	109.8034	15.820	11	109.8034	15.820	11
542	466	542	6:SP3_SP2_SP3	N[5,6]	C[6]	N[5,6]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,4|C<3>,5|H<1>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	109.1960	0.000	1	109.8034	15.820	11	109.8034	15.820	11
542	466	542	6:SP3_SP2_SP3	N[5,6]	C[6]	N[5,6]	4:3:4:	3:3:4:1:	3:4:3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,3|C<3>,6|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){3|C<4>,3|H<1>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	108.6410	0.000	1	109.8034	15.820	11	109.8034	15.820	11
542	466	542	6:SP3_SP2_SP3	N[5,6]	C[6]	N[5,6]	4:3:4:	3:4:3:1:	4:3:4:	B[5,5a]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:P[6]-4:C-3:H-1:	B[5a,6]-4:N[5,6]-3:P[5]-4:	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH)	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H)	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC)	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH){2|C<3>,3|O<2>,4|C<4>}	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H){1|B<4>,1|P<4>,3|O<2>}	N[5,6](B[5a,6]O[5a]2O[6])(N[5,6]B[5,5a]C[6])(P[5]O[5]CC){1|H<1>,1|P<4>,2|O<2>,3|C<3>}	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	109.8034	15.820	11	109.8034	15.820	11
542	466	542	6:SP3_SP2_SP3	N[5,6]	C[6]	N[5,6]	4:4:3:	3:3:2:1:	3:4:3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6a]-3:S[6]-2:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]S[6]H)(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(S[6]C[6])(H){2|C<4>,4|C<3>,5|H<1>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|S<2>,2|C<3>,6|H<1>}	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	109.8034	15.820	11	109.8034	15.820	11
542	466	542	6:SP3_SP2_SP3	N[5,6]	C[6]	N[5,6]	4:4:3:	3:3:3:1:	3:4:3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,4|H<1>,6|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	109.2380	0.000	1	109.2380	0.000	1	109.2380	0.000	1	109.2380	0.000	1	109.8034	15.820	11	109.8034	15.820	11
542	466	542	6:SP3_SP2_SP3	N[5,6]	C[6]	N[5,6]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,3|H<1>,6|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	105.9715	0.093	2	105.9715	0.009	2	105.9715	0.009	2	105.9715	0.009	2	109.8034	15.820	11	109.8034	15.820	11
542	466	542	6:SP3_SP2_SP3	N[5,6]	C[6]	N[5,6]	4:4:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6]-4:N[5,6]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(N[5,6]C[5]C[6]){1|C<4>,2|O<1>,3|H<1>,5|C<3>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	111.8370	0.000	1	109.8034	15.820	11	109.8034	15.820	11
542	466	542	6:SP3_SP3_SP3	N[5,6]	C[6]	N[5,6]	4:3:4:	3:3:1:1:	4:3:4:	C[5]-4:N[5,6]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH){1|Rh<4>,3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]N[5,6]C[5])(H)2{1|P<4>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5]C[6a]P[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH){1|Rh<4>,3|H<1>,6|C<3>}	106.0685	0.462	2	106.0685	0.213	2	106.0685	0.213	2	106.0685	0.213	2	106.9570	1.012	7	106.9570	1.012	7
542	466	542	6:SP3_SP3_SP3	N[5,6]	C[6]	N[5,6]	4:3:4:	3:3:3:1:	4:3:4:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(N[6]C[6]C)(H){2|C<3>,3|C<4>,6|H<1>}	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,7|H<1>}	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	106.9570	1.012	7	106.9570	1.012	7
542	466	542	6:SP3_SP3_SP3	N[5,6]	C[6]	N[5,6]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	108.3900	0.000	1	107.4805	1.654	2	107.4805	1.654	2	107.4805	1.654	2	106.9570	1.012	7	106.9570	1.012	7
542	466	542	6:SP3_SP3_SP3	N[5,6]	C[6]	N[5,6]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]C){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	106.5710	0.000	1	107.4805	1.654	2	107.4805	1.654	2	107.4805	1.654	2	106.9570	1.012	7	106.9570	1.012	7
542	466	542	6:SP3_SP3_SP3	N[5,6]	C[6]	N[5,6]	4:3:4:	3:3:4:1:	4:3:4:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H)	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){1|N<3>,3|C<3>,7|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)(H){2|C<3>,4|C<4>,4|H<1>}	N[5,6](C[6]C[6a]N[6]H)(N[5,6]C[5]C[6])(C[5]C[5]HH){2|C<4>,3|C<3>,5|H<1>}	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	107.4530	0.000	1	106.9570	1.012	7	106.9570	1.012	7
542	466	542	6:SP3_SP3_SP3	N[5,6]	C[6]	N[5,6]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:C[6]-3:	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H)	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H)	N[5,6](C[6]C[6a]C[6]H)(N[5,6]C[5]C[6])(C[5]C[5]CH){1|O<1>,4|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6a]C[6]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,3|H<1>,6|C<3>}	N[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	106.1250	0.000	1	106.1250	0.000	1	106.1250	0.000	1	106.1250	0.000	1	106.9570	1.012	7	106.9570	1.012	7
542	466	562	0:SP2_SP3_SP3	N[5,6]	C[6]	Si[5]	3:4:4:	3:3:4:1:	3:2:2:4:	C[5,6,6a]-3:Si[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	N[5,6]-3:O[5]-2:O-2:C-4:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H)	Si[5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC[6a])(CCHH)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH){1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	Si[5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC[6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	130.1210	0.000	1	130.1210	0.000	1	130.1210	0.000	1	130.1210	0.000	1	130.1210	0.000	1	130.3493	13.991	4
542	466	562	0:SP2_SP3_SP3	N[5]	C[3x6]	Si[5,5]	4:4:2:	3:4:4:4:	3:3:3:3:	C[3x6]-4:Si[5,5]-4:N[5]-2:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5]-3:N[5]-3:N[5]-3:N[5]-3:	N[5](C[3x6]C[6,6]3)(Si[5,5]N[5]3)(N[5]N[5])	C[3x6](N[5]Si[5,5]N[5])(C[6,6]C[3x6]HH)3	Si[5,5](N[5]C[3x6]N[5])2(N[5]C[5]C)2	N[5](C[3x6]C[6,6]3)(Si[5,5]N[5]3)(N[5]N[5]){6|H<1>,8|C<4>}	C[3x6](N[5]Si[5,5]N[5])(C[6,6]C[3x6]HH)3{1|N<2>,3|C<4>,3|H<1>,3|N<3>}	Si[5,5](N[5]C[3x6]N[5])2(N[5]C[5]C)2{3|H<1>,7|C<4>}	133.0680	0.052	2	133.0680	0.003	2	133.0680	0.003	2	133.0680	0.003	2	133.0680	0.003	2	130.3493	13.991	4
542	466	562	0:SP2_SP3_SP3	N[5]	C[6]	Si[5]	4:3:4:	3:4:4:1:	6:3:3:3:	Si[5]-4:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:C[6a]-3:C[6a]-3:	N[5](Si[5]C[5x3,6x5,20x6]C[6a]2)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H)	C[6](N[5]Si[5]C[5])(C[6]C[6]HH)2(H)	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(C[6a]C[6a]2)2	N[5](Si[5]C[5x3,6x5,20x6]C[6a]2)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>,6|B<6>}	C[6](N[5]Si[5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,2|C<6>,4|H<1>}	Si[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(C[6a]C[6a]2)2{1|N<2>,2|C<4>,4|C<3>,5|B<6>,9|H<1>}	125.1400	0.000	1	125.1400	0.000	1	125.1400	0.000	1	125.1400	0.000	1	125.1400	0.000	1	130.3493	13.991	4
542	466	562	6:SP2_SP3_SP3	N[5,6]	C[6]	Si[5,6]	4:4:2:	3:3:4:1:	3:4:2:2:	Si[5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:O-2:	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5])	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC)	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC){1|C<3>,2|C<4>,3|H<1>}	131.2090	0.468	2	131.2090	0.219	2	131.2090	0.219	2	131.2090	0.219	2	131.2090	0.219	2	131.2090	0.219	2
542	466	606	6:SP2_SP3_SP3	N[5,6]	C[6]	Ge[5,5,6]	4:3:4:	3:4:1:1:	3:3:3:3:	Ge[5,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[5]-3:N[5]-3:	N[5,6](Ge[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2	Ge[5,5,6](N[5,6]C[5,6a]C[6])2(N[5]C[5,6a]C)2	N[5,6](Ge[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>,5|C<4>}	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|N<3>}	Ge[5,5,6](N[5,6]C[5,6a]C[6])2(N[5]C[5,6a]C)2{1|C<4>,4|C<3>,4|H<1>}	120.9035	6.107	2	120.9035	37.299	2	120.9035	37.299	2	120.9035	37.299	2	120.9035	37.299	2	120.9035	37.299	2
542	466	679	0:SP3_SP3_SP3	N[5,6]	C[6]	B[5,5a]	4:3:4:	3:4:3:1:	3:2:2:2:	B[5,5a]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:P[6]-4:C-3:H-1:	N[5,6]-3:O[5a]-2:O[5a]-2:O[5]-2:	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH)	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H)	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5])	N[5,6](B[5,5a]O[5a]2O[5])(N[5,6]B[5a,6]P[5])(C[6]P[6]CH){2|C<3>,3|O<2>,4|C<4>}	C[6](N[5,6]B[5,5a]N[5,6])(P[6]O[6]CC)(COO)(H){1|B<4>,1|P<4>,3|O<2>}	B[5,5a](N[5,6]N[5,6]C[6])(O[5a]C[5a,6a])2(O[5]P[5]){1|B<4>,1|H<1>,1|P<4>,2|C<4>,3|C<3>}	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1	112.4650	0.000	1
542	466	727	0:SP2_SP2_SP3	N[5,6,6]	C[3x6]	C[5,6a]	4:4:3:	3:3:4:1:	3:3:3:	C[3x6]-4:C[5,6,6]-4:C[5,6a]-3:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a])	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6,6](C[3x6]C[6,6]N[6,6]H)(C[5,6,6]C[3x6]O[5]C)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|C<3>,4|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	114.5475	0.356	2	114.5475	0.127	2	114.5475	0.127	2	115.0510	0.824	3	115.0510	0.824	3	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6,6]	C[3x6]	C[5,6a]	4:4:3:	3:3:4:1:	3:3:3:	C[5,6,6]-4:C[3x6]-4:C[5,6a]-3:	N[5,6,6]-3:N[6,6]-3:C[6,6]-4:H-1:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H)	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H)	N[5,6,6](C[5,6,6]C[3x6]C[6a]O[5])(C[3x6]C[6,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a]){1|C<4>,4|H<1>,6|C<3>}	C[3x6](N[5,6,6]C[5,6,6]C[5,6a])(N[6,6]C[6,6]C[6a])(C[6,6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[5,6a](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[6a]O[5])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	116.0580	0.000	1	116.0580	0.000	1	116.0580	0.000	1	115.0510	0.824	3	115.0510	0.824	3	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6,6]	C[6,6]	C[5,6a]	4:3:4:	3:4:4:2:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6,6]-4:	N[5,6,6]-3:C[6]-4:C[6]-4:O-2:	N[5,6,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O)	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH)	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6,6](C[5,3x6]C[6,6]N[6,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6,6]C[6]2O){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[6,6](N[5,6,6]C[5,3x6]C[5,6a])(C[6]C[6]HH)2(OH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,6a](N[5,6,6]C[5,3x6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	126.6350	0.000	1	126.6350	0.000	1	126.6350	0.000	1	126.6350	0.000	1	126.6350	0.000	1	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[3x6]	C[5,6a]	3:3:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[3x6]-4:N[5,6]-3:C[3x6]-4:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|N<3>,8|C<3>}	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	134.9130	0.000	2	134.9130	0.000	2	134.9130	0.000	2	134.9130	0.000	2	134.9130	0.000	2	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:2:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:S[6]-2:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(S[6]C[6])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(S[6]C[6])(H)2{1|N<2>,2|C<3>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|S<2>,2|C<3>,3|H<1>}	127.6670	0.000	1	127.6670	0.000	1	127.6670	0.000	1	127.6670	0.000	1	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<2>,3|C<3>,4|H<1>}	124.0490	0.000	1	124.0490	0.000	1	124.0490	0.000	1	123.8740	0.666	4	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2{1|N<3>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	124.9240	0.000	1	124.9240	0.000	1	124.9240	0.000	1	123.8740	0.666	4	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,2|C<3>,4|H<1>}	123.2615	0.340	2	123.2615	0.116	2	123.2615	0.116	2	123.8740	0.666	4	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,1|O<1>,3|C<3>,3|H<1>}	126.2155	0.081	2	126.2155	0.007	2	126.2155	0.007	2	126.7413	2.478	6	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[5a]-3:N[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H){1|Cd<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|Cd<4>,1|N<3>,3|C<3>,3|H<1>}	129.5490	0.000	1	129.5490	0.000	1	129.5490	0.000	1	126.7413	2.478	6	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){1|N<2>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	127.5360	0.000	1	127.5360	0.000	1	127.5360	0.000	1	126.7413	2.478	6	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	125.4660	0.247	2	125.4660	0.061	2	125.4660	0.061	2	126.7413	2.478	6	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C){1|N<2>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	131.3140	0.000	1	131.3140	0.000	1	131.3140	0.000	1	131.3140	0.000	1	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	123.4685	0.261	2	123.4685	0.068	2	123.4685	0.068	2	123.4685	0.068	2	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]O[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,4|H<1>}	127.5962	1.350	4	127.5962	1.823	4	125.8134	6.204	7	126.1655	4.153	13	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	122.7760	0.000	1	122.7760	0.000	1	125.8134	6.204	7	126.1655	4.153	13	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,4|H<1>}	124.6140	0.000	1	123.7665	1.437	2	125.8134	6.204	7	126.1655	4.153	13	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.9190	0.000	1	123.7665	1.437	2	125.8134	6.204	7	126.1655	4.153	13	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6a]-3:C[6a]-3:	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	126.3790	0.000	1	126.3790	0.000	1	126.3790	0.000	1	126.1655	4.153	13	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	128.0375	0.452	2	126.6158	2.670	5	126.6158	2.670	5	126.1655	4.153	13	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	124.0920	0.000	1	126.6158	2.670	5	126.6158	2.670	5	126.1655	4.153	13	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cu<2>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Cu<2>,1|C<3>,2|C<4>,4|H<1>}	126.3740	0.000	1	126.6158	2.670	5	126.6158	2.670	5	126.1655	4.153	13	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	126.5380	0.000	1	126.6158	2.670	5	126.6158	2.670	5	126.1655	4.153	13	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:N-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	123.0790	0.000	1	123.0790	0.000	1	123.0790	0.000	1	123.0790	0.000	1	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	110.5060	1.056	3	110.5060	1.116	3	110.5060	1.116	3	110.5060	1.116	3	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:2:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	112.3310	0.000	1	112.1990	0.035	2	112.1990	0.035	2	112.1990	0.035	2	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:2:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{3|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	112.0670	0.000	1	112.1990	0.035	2	112.1990	0.035	2	112.1990	0.035	2	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:3:	3:3:3:1:	3:3:2:	C[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[5,6]-3:N[5,6a]-3:N[6a]-2:	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]N[5])(N[6a]C[6a])	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	C[5,6a](N[5,6]C[5,6]C[6])(N[5,6a]C[6a]N[5])(N[6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	128.4120	0.000	1	128.4120	0.000	1	128.4120	0.000	1	128.4120	0.000	1	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6]){3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,4|H<1>}	125.8230	0.000	1	125.8230	0.000	1	124.8240	1.996	2	124.8240	1.996	2	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	123.8250	0.000	1	123.8250	0.000	1	124.8240	1.996	2	124.8240	1.996	2	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	121.2570	0.000	1	120.6903	0.348	3	120.6903	0.348	3	120.6903	0.348	3	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	120.4070	0.462	2	120.6903	0.348	3	120.6903	0.348	3	120.6903	0.348	3	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]C)(C[6]C[6]HH){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	127.1510	0.000	1	127.1510	0.000	1	124.7287	11.950	3	124.7287	11.950	3	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,2|C<3>,7|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,7|H<1>}	126.2650	0.000	1	123.5175	15.098	2	124.7287	11.950	3	124.7287	11.950	3	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,6|H<1>}	120.7700	0.000	1	123.5175	15.098	2	124.7287	11.950	3	124.7287	11.950	3	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH){3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CCHH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){3|C<4>,3|H<1>,4|C<3>}	128.1440	0.000	1	128.1440	0.000	1	128.1440	0.000	1	128.1440	0.000	1	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:3:4:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|O<1>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6a]C[6])(CCHH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	122.7915	0.122	2	122.7915	0.015	2	122.7915	0.015	2	122.7915	0.015	2	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){3|H<1>,4|C<3>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	117.3990	0.000	1	117.3990	0.000	1	117.3990	0.000	1	121.8048	8.908	6	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]O[6]CH)(H)2{1|C<4>,1|O<2>,3|C<3>}	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	122.6900	0.000	1	122.6900	0.000	1	122.6900	0.000	1	121.8048	8.908	6	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	121.8048	8.908	6	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|N<3>,4|C<3>,6|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	126.3240	0.000	1	126.3240	0.000	1	126.3240	0.000	1	121.8048	8.908	6	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	Ge[5,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](Ge[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6](Ge[5,5,6]N[5,6]N[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|H<1>,4|C<3>,5|C<4>}	C[6](N[5,6]Ge[5,5,6]C[5,6a])(C[6]C[6]CC)(H)2{2|C<3>,2|H<1>,3|N<3>}	C[5,6a](N[5,6]Ge[5,5,6]C[6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|N<3>,4|H<1>}	120.8320	1.063	2	120.8320	1.131	2	120.8320	1.131	2	121.8048	8.908	6	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	127.2190	0.000	1	126.7135	0.511	2	126.7135	0.511	2	126.4617	0.446	3	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|H<1>,4|C<4>,6|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<3>,3|C<4>,4|H<1>,6|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	126.2080	0.000	1	126.7135	0.511	2	126.7135	0.511	2	126.4617	0.446	3	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5,6]C[3x6]O[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,5,6,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	125.9580	0.000	1	125.9580	0.000	1	125.9580	0.000	1	126.4617	0.446	3	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:4:4:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CC){1|O<1>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(CH3)2{6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	125.5800	0.000	1	125.5800	0.000	1	125.5800	0.000	1	125.5800	0.000	1	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6a]	5:3:4:	3:3:3:1:	3:3:3:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H)	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	C[5,6a](N[5,6]Si[5,6,6]C[6])(C[5,6a]N[5,6]C[6a])(C[6a]C[6a]H){2|O<2>,3|H<1>,5|C<3>}	115.1165	0.357	2	115.1165	0.128	2	115.1165	0.128	2	115.1165	0.128	2	123.4225	25.031	57	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5,5a]	3:4:4:	3:4:4:4:	4:3:3:	C[5,5a]-3:C[3x6]-4:C[5]-4:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	B[5a]-4:N[5,5a]-3:N[5]-3:	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])	N[5](C[5,5a]N[5,5a]B[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|F<1>,1|N<3>,2|C<3>,3|C<4>,8|H<1>}	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3{1|B<4>,1|N<3>,4|C<4>,5|H<1>}	C[5,5a](B[5a]C[6a]N[5a]F)(N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5]){3|C<3>,4|C<4>,4|H<1>}	128.9940	0.000	1	128.9940	0.000	1	128.9940	0.000	1	128.9940	0.000	1	128.9940	0.000	1	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[3x6]-4:C[5]-3:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H)	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H){2|C<3>,4|C<4>,7|H<1>}	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	127.5350	0.000	1	127.5350	0.000	1	124.7067	4.502	4	124.7067	4.502	4	124.7067	4.502	4	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[3x6]-4:C[5]-3:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Ir)	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Ir){3|C<3>,3|C<4>,7|H<1>}	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3{1|Ir<5>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Ir<5>,2|C<3>,2|H<1>,3|C<4>}	124.4160	0.537	2	124.4160	0.289	2	124.7067	4.502	4	124.7067	4.502	4	124.7067	4.502	4	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5,6a]	3:4:3:	3:4:4:4:	3:3:3:	C[5,6a]-3:C[3x6]-4:C[5]-3:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Pd)	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]Pd){2|C<3>,4|C<4>,7|H<1>}	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3{1|Pd<4>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[3x6]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|H<1>,4|C<4>}	122.4600	0.000	1	122.4600	0.000	1	124.7067	4.502	4	124.7067	4.502	4	124.7067	4.502	4	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[6,6]	C[5,6a]	4:3:3:	4:4:3:1:	3:3:3:	C[6,6]-4:C[5,6a]-3:C[5]-3:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh)	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[5]N[5]Rh){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]N[5]H)(N[5]C[5,6a]C[5])(H){1|Rh<6>,1|H<1>,1|N<3>,8|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[6,6]C[5])(C[6a]C[6a]H){1|Rh<6>,1|C<3>,3|C<4>,3|H<1>}	125.3020	8.228	2	125.3020	67.698	2	125.3020	67.698	2	125.3020	67.698	2	125.3020	67.698	2	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[6]	C[5,6a]	3:3:4:	3:4:4:1:	3:2:3:	C[5,6a]-3:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[6a]-2:N[5]-3:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6])	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(N[6a]C[6a,6a])(N[5]C[5]C[6]){1|N<3>,1|O<1>,2|C<4>,2|H<1>,3|C<3>}	126.5810	0.000	1	126.5810	0.000	1	126.5810	0.000	1	126.5810	0.000	1	126.3520	3.394	23	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[6]	C[5,6a]	3:4:2:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:Se[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5])	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]Se[5]C[6])(C[6a]C[6a]H){1|C<3>,2|C<4>,3|H<1>}	126.0375	0.008	2	126.0375	0.000	2	126.0375	0.000	2	126.0375	0.000	2	126.3520	3.394	23	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[6]	C[5,6a]	3:4:3:	3:4:2:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	128.8110	0.939	3	128.8110	0.881	3	128.8110	0.881	3	128.8110	0.881	3	126.3520	3.394	23	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	125.5660	0.878	2	125.6328	0.113	10	125.9416	3.228	17	125.9416	3.228	17	126.3520	3.394	23	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	125.6495	0.184	8	125.6328	0.113	10	125.9416	3.228	17	125.9416	3.228	17	126.3520	3.394	23	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Ir)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Ir){1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Ir<6>,1|C<3>,2|H<1>,4|C<4>}	127.0273	0.736	3	127.0273	0.541	3	125.9416	3.228	17	125.9416	3.228	17	126.3520	3.394	23	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Pd)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]Pd){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,3|C<4>,3|H<1>}	124.4310	6.032	2	124.4310	36.380	2	125.9416	3.228	17	125.9416	3.228	17	126.3520	3.394	23	124.3142	24.044	93
542	466	727	0:SP2_SP2_SP3	N[5]	C[6]	C[5,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:C[6a]-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S){2|C<3>,3|C<4>,5|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]H){1|C<3>,1|S<1>,3|C<4>,3|H<1>}	127.3680	0.195	2	127.3680	0.038	2	125.9416	3.228	17	125.9416	3.228	17	126.3520	3.394	23	124.3142	24.044	93
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[3x6]	C[5,6a]	3:3:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[3x6]-4:N[5,6]-3:C[3x6]-4:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H)	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|N<3>,8|C<3>}	C[5,6a](N[5,6]C[3x6]C[5,6])(C[5,6a]C[6a]N[5])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	129.1763	3.944	6	129.1763	15.552	6	129.1763	15.552	6	129.1763	15.552	6	129.1763	15.552	6	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6,6]	C[5,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6,6]-4:C[5,6]-4:	N[5,6]-3:C[6]-4:N[6,6]-4:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O)	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H)	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]N[6,6]C[6]H)(C[5,6]C[5]C[6]O){1|O<1>,2|C<3>,4|C<4>,5|H<1>}	C[6,6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6]HH)(N[6,6]C[6]2C)(H){1|O<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,6a](N[5,6]C[5,6]C[6,6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|N<4>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	123.8835	0.554	2	123.8835	0.307	2	123.8835	0.307	2	123.8835	0.307	2	123.8835	0.307	2	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Pd<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]N[5,6])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]N[5,6]C[6])(C[6a]C[6a]H){1|Pd<4>,1|C<3>,2|C<4>,4|H<1>}	126.6900	0.000	1	126.6900	0.000	1	126.6900	0.000	1	126.6900	0.000	1	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:2:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,2|C<4>,4|H<1>}	110.8430	0.776	2	110.8430	0.603	2	110.8430	0.603	2	110.8430	0.603	2	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:2:	3:3:4:4:	3:3:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	N[5,6]-3:C[5,6]-3:C-4:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	111.6320	0.000	1	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:2:	4:3:4:4:	3:3:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{2|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]O[5,6]C[6])(C[6a]C[6a]H){1|C<3>,3|H<1>,4|C<4>}	112.2900	0.000	1	112.2900	0.000	1	112.2900	0.000	1	112.2900	0.000	1	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6,6a]HH){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|C<3>,4|H<1>}	122.0530	0.000	1	122.0530	0.000	1	122.0530	0.000	1	122.0530	0.000	1	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(C[6]C[6a]C[6]H){2|C<4>,5|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	123.3790	0.000	1	123.3790	0.000	1	123.3790	0.000	1	123.3790	0.000	1	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]C)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){2|C<3>,2|H<1>,6|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<3>,4|C<4>,5|H<1>}	123.3330	0.000	1	123.3330	0.000	1	123.5590	0.102	2	123.4313	5.292	4	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6,6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]O)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]HH){1|H<1>,1|O<2>,2|C<3>,6|C<4>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6,6]C[5,6]C[6]2)(H)2{1|N<3>,2|C<3>,2|O<2>,3|C<4>,5|H<1>}	C[5,6a](C[5,6a]C[5,5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	123.7850	0.000	1	123.7850	0.000	1	123.5590	0.102	2	123.4313	5.292	4	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){1|O<2>,3|H<1>,4|C<3>,4|C<4>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CO)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){2|C<3>,4|C<4>,4|H<1>}	120.5010	0.000	1	120.5010	0.000	1	123.3035	15.708	2	123.4313	5.292	4	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HH){2|N<3>,4|C<3>,6|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]N[6]HH)(H)2{2|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	126.1060	0.000	1	126.1060	0.000	1	123.3035	15.708	2	123.4313	5.292	4	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:2:1:	3:3:3:	C[5,5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H)	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){3|H<1>,4|C<3>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5,6a])(C[6]C[6]HH)(OH)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](N[5,6]C[5,5,6,6]C[6])(C[5,6a]C[5,5]C[6a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.9940	0.000	1	119.9940	0.000	1	119.9940	0.000	1	117.8667	85.242	3	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:2:1:	3:3:3:	C[5,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO)	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H)	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]HO){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,5,6]C[5,6a])(C[6]C[6,6]HH)(OC)(H){3|C<3>,4|C<4>}	C[5,6a](N[5,6]C[5,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	125.8500	0.000	1	125.8500	0.000	1	125.8500	0.000	1	117.8667	85.242	3	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:2:1:	3:3:3:	C[5,6,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-2:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H)	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,6,6]C[5,6]N[6,6]H)(C[5,6a]C[5,6a]C[6a])(C[6]C[6]CH){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6,6]CH)(CN)(H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6]C[6a])(N[5,6]C[5,6,6]C[6])(C[6a]C[6a]H){1|C<2>,1|C<4>,1|N<3>,2|C<3>,5|H<1>}	107.7560	0.000	1	107.7560	0.000	1	107.7560	0.000	1	117.8667	85.242	3	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[4,5,6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	N[5,6]-3:C[5,6a]-3:C[6a]-3:	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H)	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	N[5,6](C[4,5,6]C[4,6a]C[4,6]C[5])(C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H){3|C<4>,3|H<1>,7|C<3>}	C[6](N[5,6]C[4,5,6]C[5,6a])(C[6]C[5]C[6]H)(C[6a]C[6a]2)(H){1|N<2>,3|C<4>,3|H<1>,6|C<3>}	C[5,6a](N[5,6]C[4,5,6]C[6])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	118.2320	0.264	2	118.2320	0.070	2	118.2320	0.070	2	120.8787	21.050	3	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5,3x6]-4:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6,6]-4:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH)	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H)	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H)	N[5,6](C[5,3x6]C[5,6,6]C[3x6]O[6])(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6]CH){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,3x6]C[5,6a])(C[6,6]C[6,6]C[6]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6,6]C[6a])(N[5,6]C[5,3x6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	126.1720	0.000	1	126.1720	0.000	1	126.1720	0.000	1	120.8787	21.050	3	119.2139	37.762	18	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5]	C[3x6]	C[5,5a]	3:4:4:	3:4:4:4:	3:3:3:	C[5,5a]-3:C[3x6]-4:C[5]-4:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5,5a]-3:N[5]-3:Ge[5a]-3:	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Cr)	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Cr<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3{1|Ge<3>,1|N<3>,4|C<4>,5|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Cr){1|C<3>,4|C<4>,4|H<1>}	122.4680	0.000	1	122.4680	0.000	1	122.1425	0.212	2	122.1425	0.212	2	122.1425	0.212	2	121.8914	43.546	28
542	466	727	0:SP3_SP2_SP3	N[5]	C[3x6]	C[5,5a]	3:4:4:	3:4:4:4:	3:3:3:	C[5,5a]-3:C[3x6]-4:C[5]-4:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5,5a]-3:N[5]-3:Ge[5a]-3:	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Mo)	N[5](C[5,5a]N[5,5a]Ge[5a])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Mo<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[3x6](N[5]C[5,5a]C[5])(C[6,6]C[3x6]HH)3{1|Ge<3>,1|N<3>,4|C<4>,5|H<1>}	C[5,5a](N[5,5a]C[5a]C[5])(N[5]C[3x6]C[5])(Ge[5a]N[5a]Mo){1|C<3>,4|C<4>,4|H<1>}	121.8170	0.000	1	121.8170	0.000	1	122.1425	0.212	2	122.1425	0.212	2	122.1425	0.212	2	121.8914	43.546	28
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:3:4:	3:4:4:4:	3:3:3:	C[5,6,6a]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-4:C-4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|O<1>}	C[5,6,6a](C[5,6a]C[5,5]C[6a])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|H<1>,1|O<2>,2|O<1>,5|C<4>}	122.2380	0.000	1	122.2380	0.000	1	122.2380	0.000	1	122.2380	0.000	1	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	C[6,6a]-3:C[5,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6,6a]C[5])(H)2	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6,6a]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5,6,6a](C[6,6a]C[5a,6]C[6a])(C[5,6a]C[6a]C[5])(N[5,6]C[5]C[6]){1|S<2>,2|C<3>,2|O<1>,4|H<1>}	123.8290	0.128	4	123.8290	0.016	4	123.8290	0.016	4	123.8290	0.016	4	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:3:	3:3:4:1:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]N[5,6]Ir)	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[6a]C[6]H)(C[5]N[5,6]Ir){2|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,4|C<3>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,2|C<3>,3|C<4>,4|H<1>}	118.3120	0.380	2	118.3120	0.145	2	118.3120	0.145	2	118.3120	0.145	2	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,6|H<1>}	121.2940	0.000	1	120.7560	0.579	2	120.7560	0.579	2	120.7560	0.579	2	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	120.2180	0.000	1	120.7560	0.579	2	120.7560	0.579	2	120.7560	0.579	2	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	C[5,6,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[5]C[6]H)(C[5]N[5,6]Ir)	C[6](N[5,6]C[5,6,6a]C[5])(C[5]C[5]2Fe)(C[6]C[6]HH)(H)	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6,6a]C[6,6a])(C[6]C[5]C[6]H)(C[5]N[5,6]Ir){1|Fe<10>,2|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6a]C[5])(C[5]C[5]2Fe)(C[6]C[6]HH)(H){1|Ir<6>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6a](C[5,6,6a]C[6,6a]N[5,6])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Ir<6>,1|C<3>,4|C<4>,4|H<1>}	117.9230	0.209	2	117.9230	0.044	2	117.9230	0.044	2	119.2717	5.479	3	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6,6a]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	121.9690	0.000	1	121.9690	0.000	1	121.9690	0.000	1	119.2717	5.479	3	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:4:	3:3:4:1:	3:3:3:	C[5,6,6a]-3:Si[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H)	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(Si[5]O[5]CO)(C[6]C[6]CH){1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(CCHH)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5,6,6a](C[5,6a]C[6a]O[5])(C[6,6a]C[6a]C[6])(N[5,6]Si[5]C[6]){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|C<3>,1|C<4>,1|N<3>,9|H<1>}	114.4130	0.000	1	114.4130	0.000	1	114.4130	0.000	1	117.1985	15.518	2	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6,6a]-3:C[6]-4:P[5]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(P[5]C[5]OO)	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(P[5]C[5]OO){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6,6a](C[5,6a]C[6a]C[5])(C[6,6a]C[6a]C[6])(N[5,6]C[6]P[5]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	119.9840	0.000	1	119.9840	0.000	1	119.9840	0.000	1	117.1985	15.518	2	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	121.5470	0.000	1	121.5470	0.000	1	121.5470	0.000	1	121.5470	0.000	1	120.4978	7.711	16	120.4978	7.711	16
542	466	727	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6,6a]	3:4:4:	3:4:4:1:	3:3:3:	C[5,6,6a]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H)	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6])	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]P[5]HO)(C[6]C[6]CH){1|Rh<4>,1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CCCH)(H){1|O<2>,1|P<4>,2|C<3>,3|H<1>}	C[5,6,6a](C[5,6a]C[6a]P[5])(C[6,6a]C[6a]C[6])(N[5,6]C[5]C[6]){1|Rh<4>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1	118.3830	0.000	1
542	466	786	0:SP2_SP3_SP3	N[5,6]	C[6]	B[5,5]	3:4:4:	3:4:1:1:	3:3:4:2:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:B[5,5]-4:C-2:	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]C)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2C)(CC)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<2>,2|H<1>,3|N<3>}	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2C)(CC){2|N<3>,4|C<4>,4|H<1>}	125.7283	1.177	4	125.7283	1.385	4	125.7283	1.385	4	126.3646	1.810	8	126.2256	1.286	12	126.1152	1.325	17
542	466	786	0:SP2_SP3_SP3	N[5,6]	C[6]	B[5,5]	3:4:4:	3:4:1:1:	3:3:4:2:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:B[5,5]-4:O-2:	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2O)(OS)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|O<2>,2|H<1>,3|N<3>}	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2O)(OS){2|N<3>,4|C<4>,4|H<1>}	127.0010	1.326	4	127.0010	1.757	4	127.0010	1.757	4	126.3646	1.810	8	126.2256	1.286	12	126.1152	1.325	17
542	466	786	0:SP2_SP3_SP3	N[5,6]	C[6]	B[5,5]	3:4:4:	3:4:1:1:	3:3:4:3:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:B[5,5]-4:N-3:	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]N)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2N)(NCC)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]N)(C[6]C[6]HH){1|C<3>,2|H<1>,2|N<3>,4|C<4>}	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,2|H<1>,4|N<3>}	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2N)(NCC){2|N<3>,4|C<4>,4|H<1>}	125.9475	0.580	4	125.9475	0.336	4	125.9475	0.336	4	125.9475	0.336	4	126.2256	1.286	12	126.1152	1.325	17
542	466	786	0:SP2_SP3_SP3	N[5]	C[6]	B[5]	4:3:4:	3:4:4:1:	3:3:2:2:	B[5]-4:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:O-2:O-2:	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6]C[6]2H)	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6])	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	B[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(OB[5])(OC[6]){2|C<3>,2|C<4>,3|H<1>}	125.3445	0.693	4	125.3445	0.481	4	125.3445	0.481	4	125.3445	0.481	4	125.8504	1.640	5	126.1152	1.325	17
542	466	786	0:SP2_SP3_SP3	N[5]	C[6]	B[5]	4:4:3:	3:4:4:1:	3:3:1:1:	B[5]-4:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:B[5]-3:Cl-1:Cl-1:	N[5](B[5]B[5]Cl2)(C[6]C[6]2H)(C[5]N[5]N)	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H)	B[5](N[5]C[5]C[6])(B[5]N[5]N)(Cl)2	N[5](B[5]B[5]Cl2)(C[6]C[6]2H)(C[5]N[5]N){1|N<3>,3|C<4>,4|H<1>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H){2|Cl<1>,1|B<3>,1|C<4>,2|N<3>,4|H<1>}	B[5](N[5]C[5]C[6])(B[5]N[5]N)(Cl)2{1|H<1>,1|N<3>,3|C<4>}	127.8740	0.000	1	127.8740	0.000	1	127.8740	0.000	1	127.8740	0.000	1	125.8504	1.640	5	126.1152	1.325	17
542	466	813	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5,6a]	3:4:3:	3:3:3:1:	3:3:3:	N[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|N<2>,2|H<1>,5|C<3>}	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	126.2920	0.000	1	126.2920	0.000	1	126.2920	0.000	1	126.2920	0.000	1	126.2920	0.000	1	126.2920	0.000	1
542	466	818	0:SP2_SP2_SP3	N[5,3x6]	C[6,6]	C[5,6]	4:4:3:	3:3:4:1:	3:4:1:	C[5,5,3x6]-4:C[6,6]-4:C[5,6]-3:	N[5,3x6]-3:C[6,6a]-3:C[6]-4:H-1:	N[5,3x6]-3:C[5,5,6]-4:O-1:	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O)	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H)	C[5,6](N[5,3x6]C[5,5,3x6]C[6,6])(C[5,5,6]C[5,6]O[5,5]C)(O)	N[5,3x6](C[5,5,3x6]C[5,6,6]O[5,5]N[6])(C[6,6]C[6,6a]C[6]H)(C[5,6]C[5,5,6]O){2|C<4>,3|H<1>,4|C<3>}	C[6,6](N[5,3x6]C[5,5,3x6]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]CH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,3x6]C[5,5,3x6]C[6,6])(C[5,5,6]C[5,6]O[5,5]C)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	123.4990	0.000	1	123.4990	0.000	1	123.4990	0.000	1	123.4990	0.000	1	123.4990	0.000	1	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[3x6]	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C[3x6]-4:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:N[5,6,6]-3:C[6,6]-3:H-1:	N[5,6,6]-3:C[5]-3:C-4:	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C)	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H)	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3)	N[5,6,6](C[3x6]N[5,6,6]C[6,6]H)(N[5,6,6]Nb[3,3x6]C[5])(C[5]C[5]C){2|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[3x6](N[5,6,6]N[5,6,6]C[5])2(C[6,6]O[6,6]O)(H){1|Nb<7>,2|C<4>,4|C<3>}	C[5](N[5,6,6]N[5,6,6]C[3x6])(C[5]C[5]H)(CH3){1|Nb<7>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	129.0840	0.747	2	129.0840	0.558	2	129.0840	0.558	2	129.0840	0.558	2	123.2155	46.539	4	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[3x6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,3|C<3>,3|C<4>}	118.1540	0.000	1	118.1540	0.000	1	118.1540	0.000	1	118.1540	0.000	1	123.2155	46.539	4	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[3x6]	C[5]	4:4:3:	4:3:3:1:	3:3:1:	C[3x6]-4:C[5,6,6]-4:C[5]-3:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:H-1:	N[5,6,6]-3:C[5]-3:H-1:	N[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]H)	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]H)(H)	N[5,6,6](C[3x6]C[5,6,6]C[6,6]H)(C[5,6,6]C[3x6]C[5]C)(C[5]C[5]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	116.5400	0.000	1	123.2155	46.539	4	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[6,6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	N[5,6,6]-3:C[5]-3:O-1:	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]HH)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){2|C<3>,2|C<4>,2|H<1>}	131.3350	0.000	1	131.3350	0.000	1	131.3350	0.000	1	131.3350	0.000	1	129.9058	0.889	8	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[6,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[5,6,6]-3:C[5]-3:O-1:	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[3,3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<4>,3|C<3>}	129.2810	0.000	1	129.2810	0.000	1	129.5552	0.431	5	129.5552	0.431	5	129.9058	0.889	8	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[6,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[5,6,6]-3:C[5]-3:O-1:	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<4>,3|C<3>}	130.6870	0.000	1	129.6238	0.543	4	129.5552	0.431	5	129.5552	0.431	5	129.9058	0.889	8	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[6,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:C[6a]-3:H-1:	N[5,6,6]-3:C[5]-3:O-1:	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<4>,3|C<3>}	129.2693	0.247	3	129.6238	0.543	4	129.5552	0.431	5	129.5552	0.431	5	129.9058	0.889	8	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[6,6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	N[5,6,6]-3:C[3x6]-4:C[3]-4:H-1:	N[5,6,6]-3:C[5]-3:O-1:	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[3]H)(C[5]C[5]O)	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[3x6]C[6,6]N[5,6])(C[6,6]C[3x6]C[3]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[6,6](N[5,6,6]C[5,4x6]C[5])(C[3x6]C[6,6]2O)(C[3]C[3]2H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,7|H<1>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<3>,3|C<4>}	131.0130	0.000	1	131.0130	0.000	1	131.0130	0.000	1	131.0130	0.000	1	129.9058	0.889	8	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[6,6]	C[5]	4:4:3:	4:3:3:1:	3:3:1:	C[5,4x6]-4:C[6,6]-4:C[5]-3:	C[3x6]-4:N[5,6,6]-3:C[6a]-3:H-1:	N[5,6,6]-3:C[5]-3:O-1:	N[5,6,6](C[5,4x6]C[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O)	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O)	N[5,6,6](C[5,4x6]C[5,6,6]C[3x6]N[5,6])(C[6,6]C[3x6]C[6a]H)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6]O)(N[5,6,6]C[5,4x6]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6,6]C[5,4x6]C[6,6])(C[5]N[5,6]O)(O){1|H<1>,2|C<3>,3|C<4>}	129.1220	0.000	1	129.1220	0.000	1	129.1220	0.000	1	129.1220	0.000	1	129.9058	0.889	8	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,5,3x6]-4:C[5,6]-3:C[6]-4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5,5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH)	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6,6]C[5,5,3x6]C[6])(O)	N[5,6,6](C[5,5,3x6]C[5,5,6,6]C[6,6]O[5,5])(C[5,6]C[5,5,6]O)(C[6]C[6]HH){2|H<1>,3|C<3>,4|C<4>}	C[6](N[5,6,6]C[5,5,3x6]C[5,6])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5,6]O[5,5]C)(N[5,6,6]C[5,5,3x6]C[6])(O){1|N<3>,3|C<4>,3|H<1>}	125.2180	0.000	1	125.2180	0.000	1	125.2180	0.000	1	126.5270	3.427	2	126.5270	3.427	2	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	4:3:1:	C[5,5,6,6]-4:C[5,6]-3:C[6]-4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	C[5,5,6,6]-4:N[5,6,6]-3:O-1:	N[5,6,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH)	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(N[5,6,6]C[5,5,6,6]C[6])(O)	N[5,6,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(C[5,6]C[5,5,6,6]O)(C[6]C[6]HH){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[5a,6]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5,6](C[5,5,6,6]N[5,5,6]C[5a,6]C[5,6])(N[5,6,6]C[5,5,6,6]C[6])(O){1|N<3>,2|C<3>,2|H<1>,5|C<4>}	127.8360	0.000	1	127.8360	0.000	1	127.8360	0.000	1	126.5270	3.427	2	126.5270	3.427	2	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6,6]	C[5]	4:3:3:	3:4:4:1:	3:3:3:	C[6,6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5])	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5]){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[6a]C[6a]2)(C[5]N[5]H){2|C<3>,3|H<1>,4|C<4>}	128.3480	1.611	2	128.3480	2.595	2	128.3480	2.595	2	128.3480	2.595	2	126.3487	23.955	4	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6,6]-4:C[5]-3:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]O)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]CH)(O)	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6,6]C[6,6]C[6]H)(C[5]C[5]O){2|C<3>,4|C<4>,6|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]CH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	129.5110	0.000	1	129.5110	0.000	1	129.5110	0.000	1	129.5110	0.000	1	126.3487	23.955	4	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6,6]	C[5]	4:4:3:	4:3:3:1:	3:2:1:	C[6,6]-4:C[5,6]-4:C[5]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[5](N[5,6]C[5,6]C[6,6])(O[5]C[5])(O)	N[5,6](C[6,6]C[5,6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]O[5]O){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|O<1>,1|O<2>,4|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	119.1880	0.000	1	119.1880	0.000	1	119.1880	0.000	1	119.1880	0.000	1	126.3487	23.955	4	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[5,6]-3:C[6]-3:	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[6]S[5])(C[6]C[6,6a]O)	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|O<1>,6|C<3>}	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[6]S[5])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	126.1920	0.000	1	126.1920	0.000	1	126.1920	0.000	1	126.1920	0.000	1	126.1920	0.000	1	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	124.3360	0.000	1	124.3360	0.000	1	124.0685	0.143	2	124.0685	0.143	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:3:4:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	123.8010	0.000	1	123.8010	0.000	1	124.0685	0.143	2	124.0685	0.143	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:Cl-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>,2|H<1>}	124.5010	0.000	1	124.5010	0.000	1	124.5010	0.000	1	125.2122	3.530	5	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2{1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,3|H<1>}	123.6300	0.744	2	123.6300	0.553	2	123.6300	0.553	2	125.2122	3.530	5	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:1:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:H-1:	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(H)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]H)(C[6]C[6]HH){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	127.1500	0.738	2	127.1500	0.545	2	127.1500	0.545	2	125.2122	3.530	5	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:N[5]-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H){2|C<4>,3|C<3>,4|H<1>}	127.5180	0.000	1	127.5180	0.000	1	127.5180	0.000	1	128.5320	2.056	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:3:3:	N[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2)	N[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]C[6a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[6])(C[6a]C[6a]2){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	129.5460	0.000	1	129.5460	0.000	1	129.5460	0.000	1	128.5320	2.056	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	3:4:1:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5,6]-4:O-1:	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(O)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(O){2|C<3>,3|C<4>,6|H<1>}	126.2090	0.000	1	126.2090	0.000	1	126.2090	0.000	1	126.2090	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,5,6]N[6])(C[5]C[5,5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,5,6]N[6])(C[5]C[5,5,6]O)(C[6]C[6]HH){3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(O){1|C<3>,1|N<2>,1|O<2>,2|C<4>,4|H<1>}	125.4730	0.000	1	125.4730	0.000	1	125.4730	0.000	1	123.8650	5.171	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:1:1:	4:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,3|H<1>}	122.2570	0.000	1	122.2570	0.000	1	122.2570	0.000	1	123.8650	5.171	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:2:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H){1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	124.6610	0.720	2	124.6610	0.518	2	124.6610	0.518	2	124.6610	0.518	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:N[5,6]-3:Cl-1:	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H)	C[5](N[5,6]C[5,6]C[6])2(Cl)	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])2(Cl){2|C<3>,2|H<1>,4|C<4>}	126.1275	0.018	2	126.1275	0.000	2	126.1275	0.000	2	126.1275	0.000	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:3:4:	3:4:4:4:	3:4:1:	C[5,6,6a]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-4:C-4:	N[5,6]-3:C[5,5]-4:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]C[5]2)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[5]C[5,5]O)(C[6]C[6]CC){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)2{1|C<4>,2|C<3>,2|O<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5,5]C[5,6a]C[5]2)(O){2|C<3>,2|H<1>,7|C<4>}	126.9010	0.000	1	126.9010	0.000	1	126.9010	0.000	1	126.9010	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6,6a]C[5])(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6,6a]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]O)(O){2|H<1>,3|C<3>}	126.0998	0.233	4	126.0998	0.054	4	126.0998	0.054	4	125.3548	3.911	28	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){3|H<1>,4|C<3>}	121.8920	0.000	1	121.8920	0.000	1	121.8920	0.000	1	125.3548	3.911	28	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	124.3240	0.000	1	124.3240	0.000	1	124.3240	0.000	1	125.3548	3.911	28	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	124.1285	0.207	2	123.3632	0.703	10	125.4236	4.288	22	125.3548	3.911	28	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	124.3750	0.225	2	123.3632	0.703	10	125.4236	4.288	22	125.3548	3.911	28	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	122.3100	0.144	2	123.3632	0.703	10	125.4236	4.288	22	125.3548	3.911	28	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<4>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<4>,1|C<3>,1|N<3>,2|H<1>}	123.0720	0.000	1	123.3632	0.703	10	125.4236	4.288	22	125.3548	3.911	28	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<1>,1|Se<2>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<4>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<4>,1|C<3>,1|N<3>,2|H<1>}	122.5870	0.000	1	123.3632	0.703	10	125.4236	4.288	22	125.3548	3.911	28	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<2>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|N<3>,2|H<1>}	123.1730	0.139	2	123.3632	0.703	10	125.4236	4.288	22	125.3548	3.911	28	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|P<2>,2|C<3>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|C<4>,1|N<3>,1|P<2>,2|H<1>}	127.1407	0.732	12	127.1407	0.536	12	125.4236	4.288	22	125.3548	3.911	28	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	122.6170	0.000	1	122.6350	1.000	3	122.6350	1.000	3	124.7225	6.636	6	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,4|H<1>}	122.6440	1.414	2	122.6350	1.000	3	122.6350	1.000	3	124.7225	6.636	6	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<4>,2|H<1>,3|C<3>}	125.2620	0.000	1	125.2620	0.000	1	125.2620	0.000	1	124.7225	6.636	6	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:4:1:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]C)(H)2{1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,3|H<1>}	126.7350	0.000	1	126.7350	0.000	1	127.5840	1.442	2	124.7225	6.636	6	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:1:1:	3:4:1:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,4|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]C[6]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,3|H<1>}	128.4330	0.000	1	128.4330	0.000	1	127.5840	1.442	2	124.7225	6.636	6	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:3:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|H<1>,5|C<3>}	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:4:4:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:C-4:C-4:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]CC)(O)	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2{1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]CC)(O){1|C<3>,3|C<4>}	125.8110	0.000	1	125.8110	0.000	1	125.8110	0.000	1	125.8110	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:2:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-2:H-1:	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]N[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]N[5])(H)	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|S<2>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(N[5]N[5])(H){1|S<2>,2|C<4>,2|H<1>}	128.1700	0.000	1	128.1700	0.000	1	128.1700	0.000	1	128.1700	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	127.0830	0.000	1	127.0830	0.000	1	126.9818	6.900	18	126.7399	6.263	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cu<3>,2|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Cu<3>,1|C<3>,1|C<4>,2|H<1>}	129.3206	0.484	9	129.3206	0.234	9	126.9818	6.900	18	126.7399	6.263	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|C<4>,2|H<1>}	123.9280	0.000	1	123.7648	1.465	5	126.9818	6.900	18	126.7399	6.263	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<2>,1|C<3>,1|C<4>,2|H<1>}	124.9330	0.000	1	123.7648	1.465	5	126.9818	6.900	18	126.7399	6.263	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<2>,2|C<4>,2|H<1>}	121.7140	0.000	1	123.7648	1.465	5	126.9818	6.900	18	126.7399	6.263	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|Ge<3>,1|C<3>,1|C<4>,2|H<1>}	124.1245	0.053	2	123.7648	1.465	5	126.9818	6.900	18	126.7399	6.263	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H)	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)(H){1|S<2>,2|C<4>,2|H<1>}	125.2937	0.123	3	125.2937	0.015	3	126.9818	6.900	18	126.7399	6.263	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O){1|C<3>,1|C<4>,3|H<1>}	125.0665	0.540	2	125.0665	0.291	2	125.0665	0.291	2	126.7399	6.263	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:H-1:	N[5,6](C[5,6]B[6]C[5])(C[6]C[6]HH)(C[5]N[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(H)	N[5,6](C[5,6]B[6]C[5])(C[6]C[6]HH)(C[5]N[5]H){1|O<2>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(H){1|B<4>,1|C<4>,3|H<1>}	125.7310	0.000	1	125.7310	0.000	1	125.7310	0.000	1	126.7399	6.263	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]Pt)(COO)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Pt<5>,1|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]Pt)(COO){1|C<3>,2|C<4>,2|H<1>}	123.4030	0.000	1	123.4030	0.000	1	123.4030	0.000	1	123.4030	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C-4:	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]O[6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|C<4>,1|N<3>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]C)(CH3){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	125.4150	0.000	1	125.4150	0.000	1	125.4150	0.000	1	125.4150	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CN)(O){1|C<4>,2|C<3>,2|H<1>}	127.9120	0.000	1	127.9120	0.000	1	127.7410	0.058	2	126.9087	2.108	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(C[5]C[5]O){1|C<2>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CO)(O){1|C<4>,2|C<3>,2|H<1>}	127.5700	0.000	1	127.5700	0.000	1	127.7410	0.058	2	126.9087	2.108	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:1:1:	3:4:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	125.2440	0.000	1	125.2440	0.000	1	125.2440	0.000	1	126.9087	2.108	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:2:1:	3:4:1:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O)	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H)	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(C[5]C[5]O){1|S<2>,2|C<3>,6|H<1>}	C[6](N[5,6]N[5,6]C[5])(C[6]S[6]HH)(OH)(H){1|O<1>,3|C<4>}	C[5](N[5,6]N[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	123.0430	0.000	1	123.0430	0.000	1	123.0430	0.000	1	123.0430	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:N[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H)	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(H)	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H){2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	128.4320	0.000	1	128.4320	0.000	1	128.4320	0.000	1	128.4320	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:4:1:	C[5,6,6a]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H)	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6]HH)(CH3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]HH)(O){1|H<1>,2|C<3>,2|C<4>}	127.2100	0.000	1	127.2100	0.000	1	127.2100	0.000	1	127.2100	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:N-2:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(NC)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N){1|C<2>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(NC){1|H<1>,1|N<2>,2|C<3>}	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[5a]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C-4:	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3)	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|S<2>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]C)(CH3){1|H<1>,1|N<2>,2|C<3>}	124.2180	0.000	1	124.2180	0.000	1	124.2180	0.000	1	123.9503	5.056	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C-4:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CCHH)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CCHH){1|H<1>,1|N<2>,2|C<3>}	126.0530	0.000	1	126.0530	0.000	1	123.8165	10.004	2	123.9503	5.056	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	3:3:4:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-3:C-4:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CH3)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	121.5800	0.000	1	121.5800	0.000	1	123.8165	10.004	2	123.9503	5.056	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,5]-4:N[5,6]-3:O-1:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){2|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	121.3350	0.000	1	121.0284	0.026	7	121.0284	0.026	7	121.0284	0.026	7	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:3:	3:3:3:1:	4:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	C[5,5]-4:N[5,6]-3:O-1:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){3|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]S[5])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|N<2>,1|N<3>,2|H<1>,5|C<3>}	120.9773	0.096	6	121.0284	0.026	7	121.0284	0.026	7	121.0284	0.026	7	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:3:	3:3:4:1:	3:3:1:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:N[5]-3:H-1:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H){1|O<2>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(H){1|H<1>,2|C<4>,3|C<3>}	128.5950	1.119	2	128.5950	1.251	2	128.5950	1.251	2	128.5950	1.251	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:3:	3:4:3:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	N[5,6]-3:N[5]-3:N-2:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(NN)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N){1|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,2|N<2>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[6a]N[5])(NN){1|H<1>,2|C<4>,3|C<3>}	129.0925	1.684	2	129.0925	2.835	2	129.0925	2.835	2	129.0925	2.835	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:2:1:1:	3:3:1:	C[4,5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH)	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2	C[5](N[5,6]C[4,5,5,6]C[6])2(O)	N[5,6](C[4,5,5,6]C[4,5,5,6]N[5,6]C[4])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[4,5,5,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[5](N[5,6]C[4,5,5,6]C[6])2(O){2|C<4>,2|N<3>,2|O<2>,4|H<1>}	119.7780	0.501	3	119.7780	0.251	3	119.7780	0.251	3	120.4629	0.571	7	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:2:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	120.9765	0.391	4	120.9765	0.153	4	120.9765	0.153	4	120.4629	0.571	7	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	122.6120	2.611	3	122.6120	6.816	3	122.3688	3.014	20	122.3688	3.014	20	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	123.0990	0.810	8	123.0990	0.657	8	122.3688	3.014	20	122.3688	3.014	20	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	121.4601	1.982	8	121.4601	3.929	8	122.3688	3.014	20	122.3688	3.014	20	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])2(O){4|N<3>,6|H<1>}	123.0660	0.000	1	123.0660	0.000	1	122.3688	3.014	20	122.3688	3.014	20	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:2:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-3:O-2:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]HO){3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(OH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	124.8090	0.000	1	124.8090	0.000	1	124.8090	0.000	1	124.8090	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:4:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]O)(CCCH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	121.7350	0.000	1	121.7350	0.000	1	121.4400	0.174	2	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,4|H<1>}	121.1450	0.000	1	121.1450	0.000	1	121.4400	0.174	2	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6]-3:S-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(S)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]S)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|S<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(S){2|C<3>,3|C<4>,4|H<1>}	126.6500	0.000	1	126.6500	0.000	1	126.6500	0.000	1	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[3x3,3x5,12x6]C[5,6a]O[6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[3x3,3x5,12x6]C[5,6a]O[6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|Co<10>,1|C<4>,1|C<6>,2|C<3>,2|H<1>,3|B<6>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<6>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|C<6>,1|O<2>,2|C<3>,3|H<1>}	121.2620	0.000	1	121.2620	0.000	1	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	125.8420	0.000	1	125.8420	0.000	1	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	125.7680	0.836	2	125.7680	0.699	2	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5a,6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	122.4890	0.000	1	122.4890	0.000	1	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5a,6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	123.6940	0.413	2	123.6940	0.171	2	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5a,6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	124.9820	0.000	1	124.9820	0.000	1	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6,6a]C)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	123.4790	0.000	1	123.4790	0.000	1	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6,6a]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,6|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	125.9470	0.000	1	125.9470	0.000	1	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	124.3005	1.154	8	124.3005	1.331	8	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	126.8040	0.000	1	126.8040	0.000	1	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[6a,6a]C[5,6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	125.9470	0.000	1	125.9470	0.000	1	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]N[6]H)(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	126.0420	0.000	1	126.0420	0.000	1	124.5772	2.219	21	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])2(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])2(H){2|C<3>,2|C<4>,6|H<1>}	127.5595	0.083	2	127.5595	0.007	2	127.5595	0.007	2	124.6450	3.448	26	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[5]C[5,5]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[5]C[5,5]O)(C[6]C[6]HH){2|C<3>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	124.3170	0.465	3	124.3170	0.216	3	124.3170	0.216	3	124.3145	3.389	10	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O){1|C<3>,3|C<4>,6|H<1>}	126.0725	0.221	2	126.0725	0.049	2	124.3134	5.011	7	124.3145	3.389	10	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])(O){1|C<3>,4|C<4>,5|H<1>}	121.2810	0.414	2	121.2810	0.172	2	124.3134	5.011	7	124.3145	3.389	10	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6]C[5,6]C[6]S)(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]O)(C[6]C[6]HH){1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]S)(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,5|H<1>}	125.1623	1.246	3	125.1623	1.552	3	124.3134	5.011	7	124.3145	3.389	10	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:3:1:	4:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,5,6]-4:N[5,6]-3:O-1:	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[3x5,6]C[5a,6]H)(C[5]C[5,5,6]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(COO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(O){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	124.5520	0.000	1	124.5520	0.000	1	124.5520	0.000	1	124.5520	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2H)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<3>,3|C<4>,3|H<1>}	125.3000	0.000	2	125.3000	0.000	2	125.3000	0.000	2	125.3000	0.000	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:4:4:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-4:C-4:	N[5,6]-3:N[5,6]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2	C[5](N[5,6]C[5,6]C[6])2(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]N[5,6]H)(C[6]C[6]CC){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CH3)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])2(H){2|C<3>,2|H<1>,6|C<4>}	128.2570	2.630	2	128.2570	6.919	2	128.2570	6.919	2	128.2570	6.919	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:2:1:1:	3:3:1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(N[5]C[5,5,6]C)(O)	N[5,6](C[5,5,6,6]C[5,5,6]N[5,6]C[6])(C[6]O[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6,6]C[6])(N[5]C[5,5,6]C)(O){1|O<2>,2|C<4>,2|H<1>,2|N<3>}	120.9435	2.399	2	120.9435	5.756	2	120.9435	5.756	2	120.8277	2.918	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:2:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	120.5960	0.000	1	120.5960	0.000	1	120.5960	0.000	1	120.8277	2.918	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:2:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5]-2:S-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5])(S)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|N<3>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|S<1>,2|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5])(S){2|C<3>,2|H<1>,3|N<3>}	127.2470	0.000	1	127.2470	0.000	1	127.2470	0.000	1	123.5874	4.641	5	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<4>,3|C<3>,3|H<1>}	122.6725	0.780	4	122.6725	0.608	4	122.6725	0.608	4	123.5874	4.641	5	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,5,6]C[6])(O)	N[5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	123.2100	0.000	1	123.2100	0.000	1	123.2100	0.000	1	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]N[6]HH)(C[5]N[5]O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){3|N<3>,4|H<1>}	123.8305	3.197	2	123.8305	10.220	2	123.8305	10.220	2	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:S-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S){1|N<2>,2|C<3>,2|H<1>,2|N<3>}	126.2580	0.000	1	126.1557	11.990	3	126.1557	11.990	3	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:S-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]S){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(S){2|C<3>,2|H<1>,3|N<3>}	126.1045	4.895	2	126.1557	11.990	3	126.1557	11.990	3	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O)	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O){1|H<1>,1|I<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O){1|C<4>,2|H<1>,3|C<3>}	124.8550	0.168	2	124.8550	0.028	2	124.8550	0.028	2	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	124.3110	0.000	1	124.3110	0.000	1	124.5377	0.395	3	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	124.0540	0.000	1	124.0540	0.000	1	124.5377	0.395	3	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]O)(C[6]C[6,6a]HH)(C[5]C[5,6a]O){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	125.2480	0.000	1	125.2480	0.000	1	124.5377	0.395	3	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]H)(O)	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]H)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]C)(H)2{1|O<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|C<4>,2|H<1>,3|C<3>}	125.6380	0.000	1	125.6380	0.000	1	125.6380	0.000	1	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	124.3610	0.000	1	124.3610	0.000	1	124.3610	0.000	1	124.6431	3.980	14	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6,6]C[6,6a]C[6,6]C[5])(C[6]C[6,6a]HH)(C[5]C[5]O){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O){1|C<4>,3|C<3>,3|H<1>}	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]C)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){1|C<3>,3|C<4>,3|H<1>}	124.4040	0.219	2	124.4040	0.048	2	124.4040	0.048	2	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,5|H<1>}	123.5770	0.095	2	122.5630	1.140	8	122.6058	0.860	11	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,5|H<1>}	124.0250	0.000	1	122.5630	1.140	8	122.6058	0.860	11	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,5|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	121.8257	0.660	4	122.5630	1.140	8	122.6058	0.860	11	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|O<1>,1|S<2>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	122.0220	0.000	1	122.5630	1.140	8	122.6058	0.860	11	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,1|S<2>,5|H<1>}	C[6](C[5a,6]C[5a,6]S[5a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	122.1540	0.000	1	122.1540	0.000	1	122.6058	0.860	11	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	123.0030	0.298	2	123.0030	0.089	2	122.6058	0.860	11	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	122.7230	0.000	1	122.7230	0.000	1	124.1680	1.571	3	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,5|H<1>}	124.9600	0.000	1	124.8905	0.010	2	124.1680	1.571	3	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<3>,5|H<1>}	124.8210	0.000	1	124.8905	0.010	2	124.1680	1.571	3	123.0876	1.353	17	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:2:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:O-2:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5a,6]HO)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[5,6]C[5,6]C[5])(OO)(H){1|H<1>,1|O<1>,1|S<2>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	124.4210	0.000	1	124.4210	0.000	1	124.4210	0.000	1	124.4210	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:3:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H){1|O<1>,2|C<4>,5|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O){1|C<4>,2|H<1>,3|C<3>}	124.0710	0.000	1	122.9545	2.493	2	122.9545	2.493	2	123.6020	2.504	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:3:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:C-3:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[5a,6]CH)(C[5]C[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6,6]C[5])(CNO)(H){1|O<1>,2|C<4>,5|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O){1|H<1>,2|C<4>,3|C<3>}	121.8380	0.000	1	122.9545	2.493	2	122.9545	2.493	2	123.6020	2.504	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:3:1:	3:3:1:	C[6]-4:C[5,6]-4:C[5]-3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	124.8970	0.000	1	124.8970	0.000	1	124.8970	0.000	1	123.6020	2.504	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6,6a]C[6a]H)(C[5]C[5]O){4|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){3|C<3>,4|H<1>}	124.2550	0.000	1	124.2550	0.000	1	124.2550	0.000	1	124.2465	0.000	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:3:1:	3:4:1:	C[6]-4:C[5,6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]O){1|O<1>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,3|H<1>,6|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){3|C<3>,4|H<1>}	124.2380	0.000	1	124.2380	0.000	1	124.2380	0.000	1	124.2465	0.000	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:4:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5,6a]O){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	125.0450	0.000	1	125.0450	0.000	1	125.0450	0.000	1	125.0450	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:4:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:C-4:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CN)(O)	N[5,6](C[5,6]C[5,6]O[5]O)(C[6]C[6]CH)(C[5]C[5]O){1|H<1>,1|O<1>,2|C<4>,2|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]O)(CC[6a]HH)(H){1|O<1>,2|O<2>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CN)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.8640	2.509	2	125.8640	6.294	2	125.8640	6.294	2	125.8640	6.294	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(O)	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(O[5]C[5,6,6])(O){3|H<1>,4|C<4>}	123.3730	0.000	1	123.3730	0.000	1	127.2370	29.861	2	124.1499	7.267	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6,6]C[6,6,6a]C[5,6]C)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(O[5]C[5,6])(O)	N[5,6](C[5,6,6]C[6,6,6a]C[5,6]C)(C[6]C[6]HH)(C[5]O[5]O){3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(O[5]C[5,6])(O){2|C<3>,2|C<4>,3|H<1>}	131.1010	0.000	1	131.1010	0.000	1	127.2370	29.861	2	124.1499	7.267	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,5|H<1>}	124.0940	0.000	1	123.7273	1.570	3	123.8675	3.279	6	124.1499	7.267	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HN)(H)2{1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,5|H<1>}	123.5440	1.714	2	123.7273	1.570	3	123.8675	3.279	6	124.1499	7.267	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|S<4>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HS)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,5|H<1>}	123.1930	0.000	1	123.1930	0.000	1	123.8675	3.279	6	124.1499	7.267	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|N<3>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	126.8790	0.000	1	126.8790	0.000	1	123.8675	3.279	6	124.1499	7.267	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	121.9510	0.000	1	121.9510	0.000	1	123.8675	3.279	6	124.1499	7.267	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:S[5]-2:S-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]S[5]S)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(S)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]S[5]S){1|C<3>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5a,6]HH)(H)2{1|C<4>,1|S<1>,1|S<2>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(S){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.6567	0.306	3	122.6567	0.094	3	122.6567	0.094	3	124.1499	7.267	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:2:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[5,6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:N-2:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]N)	C[6](N[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(NS)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]O[5]N){3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[5,6]C[5]2C[6])(H)2{1|C<3>,1|N<2>,1|O<2>,4|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(NS){2|C<4>,5|H<1>}	125.1850	0.000	1	125.1850	0.000	1	125.1850	0.000	1	125.1850	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]O)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]O)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.9220	0.000	1	121.9220	0.000	1	121.9220	0.000	1	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]H)(O)	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	123.4730	1.387	2	123.4730	1.925	2	123.5173	0.968	3	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]S[5]C)(O)	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]S[5]C)(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	123.6060	0.000	1	123.6060	0.000	1	123.5173	0.968	3	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]H)(C[6]C[6]HH)(C[5]N[5]O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){1|C<4>,2|N<3>,4|H<1>}	123.8718	1.975	4	123.8718	3.902	4	123.8718	3.902	4	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|I<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]I)(O){2|C<3>,2|C<4>,2|H<1>}	124.7190	0.000	1	124.7190	0.000	1	124.9082	0.736	4	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O){2|C<3>,2|C<4>,2|H<1>}	124.2600	0.000	1	124.2600	0.000	1	124.9082	0.736	4	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|Br<1>,2|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]O[6]CO)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O){1|C<3>,2|H<1>,3|C<4>}	124.4900	0.000	1	124.4900	0.000	1	124.9082	0.736	4	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6,6]C[6,6]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	126.1640	0.000	1	126.1640	0.000	1	124.9082	0.736	4	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]H){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(H){1|C<4>,3|C<3>,3|H<1>}	129.1790	0.146	2	129.1790	0.021	2	129.1790	0.021	2	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]2C[6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]2C[6])(H)2{1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O){2|C<4>,5|H<1>}	124.3840	0.000	1	124.3840	0.000	1	124.0108	5.167	6	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	125.4400	0.133	3	125.4400	0.018	3	124.0108	5.167	6	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(O){1|C<3>,3|C<4>,3|H<1>}	119.5980	0.000	1	119.5980	0.000	1	124.0108	5.167	6	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|C<4>,1|O<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(O){1|C<3>,2|H<1>,3|C<4>}	123.7630	0.000	1	123.7630	0.000	1	124.0108	5.167	6	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(C[5]N[5]O){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	126.0630	0.000	1	126.0630	0.000	1	126.0630	0.000	1	124.5752	5.052	21	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6,6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:N-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]N)	C[6](N[5,6]C[5,6]C[5])(C[6,6]C[6]3)(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]H)(NHH)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]N[5]N){3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6,6]C[6]3)(H)2{2|N<3>,4|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]H)(NHH){2|C<4>,5|H<1>}	127.8490	0.000	1	127.8490	0.000	1	127.8490	0.000	1	128.1230	0.150	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(COO)	N[5,6](C[5,6]C[6,6a]C[5,5]C)(C[6]C[6]HH)(C[5]C[5]C){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)(COO){1|C<4>,2|H<1>,4|C<3>}	128.3970	0.000	1	128.3970	0.000	1	128.3970	0.000	1	128.1230	0.150	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[3,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[3,5,6,6]C[6])(C[5]C[5,6]HH)(O)	N[5,6](C[3,5,6,6]C[3,6,6]C[5,6]C[3])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,4|C<4>,5|H<1>}	C[6](N[5,6]C[3,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](N[5,6]C[3,5,6,6]C[6])(C[5]C[5,6]HH)(O){2|H<1>,5|C<4>}	122.4110	0.000	1	122.4110	0.000	1	122.4110	0.000	1	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[3x5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(O)	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|H<1>,5|C<4>}	C[6](N[5,6]C[3x5,6,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	125.9800	0.000	1	125.9800	0.000	1	125.9800	0.000	1	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|Cl<1>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O){1|Cl<1>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	122.3210	0.000	1	122.0286	0.165	11	122.2391	0.280	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	121.8844	0.423	7	122.0286	0.165	11	122.2391	0.280	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,5|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	122.2677	0.296	3	122.0286	0.165	11	122.2391	0.280	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HO)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HO)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	122.7022	0.497	5	122.7022	0.247	5	122.2391	0.280	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(O)	N[5,6](C[5,5,6]C[5,5,6]C[5,6]O)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	122.8975	0.722	2	122.8975	0.521	2	122.8975	0.521	2	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:S-1:	N[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]S)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(S)	N[5,6](C[5,5,6]C[5,6]C[5]2)(C[6]C[6]HH)(C[5]C[5]S){10|H<1>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5,6]HH)(H)2{1|H<1>,1|S<1>,5|C<4>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(S){3|C<4>,4|H<1>}	125.9955	0.193	2	125.9955	0.037	2	125.9955	0.037	2	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]Cl2)(O)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|Cl<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]Cl2)(O){2|C<3>,2|C<4>,3|H<1>}	122.5160	0.000	1	122.5160	0.000	1	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	125.2140	0.000	1	125.2140	0.000	1	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){3|H<1>,4|C<4>}	125.4830	0.982	3	125.1568	1.069	4	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CC)(O){1|C<3>,3|C<4>,3|H<1>}	124.1780	0.000	1	125.1568	1.069	4	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]O){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O){3|H<1>,4|C<4>}	124.3460	1.172	2	124.3460	1.374	2	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO)(O)	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HO)(O){3|H<1>,4|C<4>}	125.1680	0.000	1	125.1680	0.000	1	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){3|C<4>,9|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	123.5850	0.000	1	123.5850	0.000	1	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[6,6]N[6]O[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]O[5]CH)(O)	N[5,6](C[5,6,6]C[6,6]N[6]O[5])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]O[5]CH)(O){1|N<3>,2|C<4>,2|H<1>}	127.1630	0.000	1	127.1630	0.000	1	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,4|C<3>,6|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(O){2|C<3>,2|C<4>,3|H<1>}	125.4090	0.000	1	125.4090	0.000	1	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a]O)(O)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a]O)(O){3|C<3>,3|C<4>,3|H<1>}	121.4980	0.000	1	121.4980	0.000	1	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,3|C<3>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	119.7740	0.000	1	119.8687	0.129	3	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	119.9160	0.495	2	119.8687	0.129	3	123.7174	5.588	16	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:S-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(S)	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(C[5]C[5]S){4|H<1>,5|C<4>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6,6]CH)(H)2{1|C<3>,1|S<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(S){3|H<1>,4|C<4>}	127.2930	0.000	1	127.2930	0.000	1	127.2930	0.000	1	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(C[5]C[5]O){2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,2|H<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	123.1405	2.176	2	123.1405	4.734	2	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	126.1450	0.000	1	126.1450	0.000	1	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	125.9857	0.884	3	126.0385	0.532	4	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|H<1>,2|O<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	126.1970	0.000	1	126.0385	0.532	4	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]CC)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<4>,4|H<1>}	123.6640	0.000	1	123.6640	0.000	1	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|N<3>,2|C<4>,4|H<1>}	123.2370	0.000	1	123.2370	0.000	1	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<4>,2|C<3>,4|H<1>}	125.9400	0.000	1	125.9400	0.000	1	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	124.4780	0.594	2	124.8798	0.376	4	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	125.5370	0.000	1	124.8798	0.376	4	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	125.0260	0.000	1	124.8798	0.376	4	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	125.2563	0.301	3	125.3483	0.524	14	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	125.3734	0.813	11	125.3483	0.524	14	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	124.1870	0.539	3	124.1870	0.290	3	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(O)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	125.6060	0.000	1	125.6060	0.000	1	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|C<3>,4|H<1>}	124.1110	0.000	1	124.1110	0.000	1	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(O)	N[5,6](C[5,6]C[6,6a]S[5]C)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|S<3>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.4940	0.000	1	123.4940	0.000	1	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6,6a]S[5]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(O)	N[5,6](C[5,6]C[6,6a]S[5]H)(C[6]C[6]HH)(C[5]C[5]O){1|O<1>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|S<3>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(O){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	124.6150	0.000	2	124.6150	0.000	2	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6a]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[6a]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,2|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	125.1660	0.000	1	125.1660	0.000	1	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O)	N[5,6](C[5,6]C[6a]C[5]O[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	120.9820	0.000	1	120.9820	0.000	1	124.8675	1.517	38	124.0745	3.309	77	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C-3:	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CC[6a]H)	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HH)(C[5]C[5]C){1|C<4>,1|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(CC[6a]H){1|O<2>,2|C<4>,4|H<1>}	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	109.6610	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:S-3:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5,6]O)(O)	N[5,6](C[5,6]C[5,6]HH)(C[6]C[6]HS)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(SCO)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5,6]O)(O){1|S<3>,2|C<4>,4|H<1>}	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	105.9010	0.000	1	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-3:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|Cl<1>,1|H<1>,1|O<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	123.5890	0.000	1	123.5890	0.000	1	123.6597	0.068	3	123.6597	0.068	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-3:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(O){1|C<3>,2|C<4>,4|H<1>}	123.9490	0.000	1	123.9490	0.000	1	123.6597	0.068	3	123.6597	0.068	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-3:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(COO)(H){1|O<1>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(O){2|C<4>,3|C<3>,4|H<1>}	123.4410	0.000	1	123.4410	0.000	1	123.6597	0.068	3	123.6597	0.068	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]O[5]O){1|O<2>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(CHHO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){3|H<1>,4|C<4>}	128.5520	0.000	1	128.5520	0.000	1	128.5520	0.000	1	125.6273	6.683	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C[6]-4:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]2H)(C[5]O[5]O){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]2O)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	124.1650	0.731	2	124.1650	0.535	2	124.1650	0.535	2	125.6273	6.683	3	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O)	N[5,6](C[5,5,6]C[5a,6]C[5,5]C[5])(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O){1|C<3>,2|H<1>,4|C<4>}	127.2140	0.000	1	127.2140	0.000	1	127.2140	0.000	1	126.4685	8.420	8	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(C[5]C[5]O){1|C<4>,8|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CC[6a]HH)(H){1|N<3>,1|O<1>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){3|C<4>,4|H<1>}	123.4320	0.000	1	123.4320	0.000	1	126.3620	9.718	7	126.4685	8.420	8	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	123.1865	0.128	2	123.1865	0.016	2	126.3620	9.718	7	126.4685	8.420	8	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	129.4933	0.235	3	129.4933	0.055	3	126.3620	9.718	7	126.4685	8.420	8	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6]CH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CHHO)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	126.2490	0.000	1	126.2490	0.000	1	126.3620	9.718	7	126.4685	8.420	8	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:4:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]O)	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O)	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](C[6,6]C[5a,6]N[6,6]H)(N[5,6]C[5,5,6]C[5])(H)2{1|N<3>,1|O<1>,2|C<3>,4|C<4>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(O){1|C<3>,3|C<4>,3|H<1>}	120.9380	0.000	1	120.9380	0.000	1	120.9380	0.000	1	125.0173	2.803	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<4>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	124.9315	0.515	2	124.9315	0.266	2	124.9622	0.103	6	125.0173	2.803	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|O<2>,2|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	125.0710	0.338	2	125.0710	0.114	2	124.9622	0.103	6	125.0173	2.803	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<3>,1|O<2>,7|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	125.1040	0.000	1	124.8840	0.097	2	124.9622	0.103	6	125.0173	2.803	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O)	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]O){1|C<4>,2|O<2>,6|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,5|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	124.6640	0.000	1	124.8840	0.097	2	124.9622	0.103	6	125.0173	2.803	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]O)	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6,6]C[6,6a]N[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,3|C<3>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,2|C<4>,4|H<1>}	125.7530	0.000	1	125.7530	0.000	1	126.1198	1.998	4	125.0173	2.803	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	4:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]O)	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]O){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(N[5,6]C[5,6]C[5])(H)2{1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	126.2420	1.705	3	126.2420	2.907	3	126.1198	1.998	4	125.0173	2.803	11	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	4:3:2:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[5,5,6]-4:N[5,6]-3:O-2:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[5,5,6]HO)(C[5]C[5]O){3|C<4>,4|H<1>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(N[5,6]C[5,6]C[5])(OH)(H){1|C<3>,1|O<1>,2|O<2>,4|H<1>,5|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,2|O<2>,4|H<1>}	127.8945	0.098	2	127.8945	0.010	2	127.8945	0.010	2	127.8945	0.010	2	124.3927	7.105	357	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5,5]	3:4:4:	4:4:4:3:	3:4:3:	C[5,5]-3:C[3x6]-4:C[5]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:Ge[5]-4:N[5,5]-3:	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5,5]C[5])	C[5,5](N[5]C[3x6]C[5])(Ge[5]N[5]Ir2)(N[5,5]C[5]2)	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH){2|Ir<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5,5]C[5]){1|Ge<4>,1|N<3>,4|C<4>,5|H<1>}	C[5,5](N[5]C[3x6]C[5])(Ge[5]N[5]Ir2)(N[5,5]C[5]2){1|C<3>,4|C<4>,4|H<1>}	126.7480	0.000	1	126.7480	0.000	1	127.9133	1.510	3	127.9133	1.510	3	127.9133	1.510	3	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5,5]	3:4:4:	4:4:4:3:	3:4:3:	C[5,5]-3:C[3x6]-4:C[5]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:Ge[5]-4:N[5,5]-3:	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5,5]C[5])	C[5,5](N[5]C[3x6]C[5])(Ge[5]N[5]Rh2)(N[5,5]C[5]2)	N[5](C[5,5]N[5,5]Ge[5])(C[3x6]C[6,6]3)(C[5]C[5]HH){1|Rh<4>,1|Rh<6>,1|C<3>,1|N<3>,3|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5,5]C[5]){1|Ge<4>,1|N<3>,4|C<4>,5|H<1>}	C[5,5](N[5]C[3x6]C[5])(Ge[5]N[5]Rh2)(N[5,5]C[5]2){1|C<3>,4|C<4>,4|H<1>}	128.4960	0.991	2	128.4960	0.983	2	127.9133	1.510	3	127.9133	1.510	3	127.9133	1.510	3	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	3:4:3:	3:4:4:4:	3:3:1:	C[5,6a]-3:C[3x6]-4:C[5]-3:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5]-3:N[5]-3:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H)	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3	C[5](N[5]C[5,6a]C[3x6])(N[5]C[5,6a]C)(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[3x6]C[6,6]3)(C[5]N[5]H){2|C<3>,4|C<4>,7|H<1>}	C[3x6](N[5]C[5,6a]C[5])(C[6,6]C[3x6]HH)3{1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[5](N[5]C[5,6a]C[3x6])(N[5]C[5,6a]C)(H){2|C<3>,3|C<4>}	125.4130	0.000	1	125.4130	0.000	1	125.4130	0.000	1	125.4130	0.000	1	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:2:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5])	C[5](N[5]C[3x6]N[5])(C[5]C[6]N[5])(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]){1|Pt<4>,1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5]){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]N[5])(C[5]C[6]N[5])(H){1|Pt<4>,1|C<3>,1|N<3>,3|C<4>}	128.2335	1.173	4	128.2335	1.375	4	128.2335	1.375	4	128.2335	1.375	4	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|C<3>,1|H<1>,3|C<4>}	127.0080	1.561	2	126.2585	1.841	4	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|H<1>,4|C<4>}	125.5090	0.915	2	126.2585	1.841	4	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]Ir)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|Ir<6>,1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]Ir)(H){1|C<3>,1|H<1>,3|C<4>}	126.9940	0.000	1	126.9940	0.000	1	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]Os)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|Os<4>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]Os)(H){1|H<1>,4|C<4>}	127.3240	0.000	1	127.3240	0.000	1	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]Ru)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|Ru<4>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]Ru)(H){1|H<1>,4|C<4>}	125.2840	0.000	1	125.2840	0.000	1	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,1|S<2>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|B<4>,1|S<2>,3|C<4>}	123.9867	0.469	10	123.9867	0.220	10	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Co<2>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Co<2>,4|C<4>}	125.1030	0.000	1	123.0859	2.062	9	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Co<3>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Co<3>,4|C<4>}	123.0025	1.185	6	123.0859	2.062	9	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Co)(C[5]C[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Co<4>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Co<4>,4|C<4>}	122.3275	2.053	2	123.0859	2.062	9	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cu)(C[5]C[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cu)(C[5]C[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Cu<2>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Cu<2>,4|C<4>}	125.2628	0.863	6	125.0069	0.797	8	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cu)(C[5]C[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cu)(C[5]C[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Cu<3>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Cu<3>,4|C<4>}	124.2390	0.533	2	125.0069	0.797	8	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Ir)(C[5]C[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Ir)(C[5]C[5]H){1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Ir<6>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Ir<6>,1|C<3>,3|C<4>}	123.2490	4.227	2	123.2490	17.868	2	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Se<1>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Se<1>,4|C<4>}	123.0110	0.332	2	122.9195	0.488	6	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Se<2>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]H)(H){1|Se<2>,4|C<4>}	122.8738	0.877	4	122.9195	0.488	6	124.1987	2.782	42	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(N[5]C[5]C)(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(N[5]C[5]C)(H){2|H<1>,3|C<4>}	126.4625	0.675	2	126.4625	0.456	2	124.2198	9.637	9	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(N[5]C[6a]C[5])(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|C<3>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(N[5]C[6a]C[5])(H){2|C<3>,2|H<1>,3|C<4>}	124.5420	2.179	2	124.6087	2.388	3	124.2198	9.637	9	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(N[5]C[6a]C[5])(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|Ir<6>,1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(N[5]C[6a]C[5])(H){1|Ir<6>,1|H<1>,2|C<3>,3|C<4>}	124.7420	0.000	1	124.6087	2.388	3	124.2198	9.637	9	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])2(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|Os<4>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])2(H){1|Os<4>,1|H<1>,6|C<4>}	124.5720	0.000	1	126.1580	5.031	2	124.2198	9.637	9	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])2(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]H){1|Ru<4>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])2(H){1|Ru<4>,1|H<1>,6|C<4>}	127.7440	0.000	1	126.1580	5.031	2	124.2198	9.637	9	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]Os)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])2(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]Os)(C[5]N[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Os<4>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])2(H){1|Os<4>,1|H<1>,6|C<4>}	118.1500	0.000	1	118.1500	0.000	1	124.2198	9.637	9	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]Ru)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])2(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]Ru)(C[5]N[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Ru<4>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])2(H){1|Ru<4>,1|H<1>,6|C<4>}	120.7610	0.000	1	120.7610	0.000	1	124.2198	9.637	9	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:Se-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])2(Se)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Se<1>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])2(Se){2|H<1>,6|C<4>}	128.1175	0.302	2	128.1175	0.091	2	128.1175	0.091	2	124.3502	4.245	53	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SGa)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,1|S<2>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SGa){2|H<1>,3|C<4>}	128.0362	0.209	6	128.0362	0.044	6	128.1216	0.183	10	128.5169	0.999	14	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SIn)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,1|S<2>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SIn){2|H<1>,3|C<4>}	128.5627	0.271	3	128.5627	0.073	3	128.1216	0.183	10	128.5169	0.999	14	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:S-2:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SZn)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(C[5]N[5]S){1|B<4>,3|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|C<3>,1|N<3>,1|S<2>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])(N[5]C[5]B)(SZn){2|H<1>,3|C<4>}	127.3110	0.000	1	127.3110	0.000	1	128.1216	0.183	10	128.5169	0.999	14	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	3:3:2:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:Se-2:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])2(SeAu)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Se)(C[5]C[5]H){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|Se<2>,1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])2(SeAu){2|H<1>,6|C<4>}	129.5052	1.399	4	129.5052	1.958	4	129.5052	1.958	4	128.5169	0.999	14	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:3:3:	4:4:4:3:	4:3:1:	C[3x6]-4:C[5]-3:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,5,6]-4:N[5]-3:O-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5,5,6]O)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[3x6]C[5])(O)	N[5](C[3x6]C[6,6]3)(C[5]C[5,5,6]O)2{5|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){2|O<1>,3|H<1>,5|C<4>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[3x6]C[5])(O){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	124.6525	2.731	6	124.6525	7.458	6	124.6525	7.458	6	124.6525	7.458	6	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:4:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-4:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:O-1:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cl2)(C[5]C[5]O)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]N[5]O)(O)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Cl2)(C[5]C[5]O){1|O<1>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){2|Cl<1>,1|C<3>,1|N<3>,1|O<1>,3|C<4>,3|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]N[5]O)(O){2|Cl<1>,4|C<4>}	121.7760	0.061	2	121.7760	0.004	2	121.7760	0.004	2	122.4070	0.532	4	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:4:3:	4:4:4:3:	3:3:1:	C[3x6]-4:C[5]-4:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:H-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]Ru2)(C[5]N[5]H)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])2(H)	N[5](C[3x6]C[6,6]3)(C[5]C[5]Ru2)(C[5]N[5]H){1|Ru<5>,4|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){2|Ru<5>,1|N<3>,4|C<4>,4|H<1>}	C[5](N[5]C[3x6]C[5])2(H){3|Ru<5>,6|C<4>}	123.0380	0.030	2	123.0380	0.001	2	123.0380	0.001	2	122.4070	0.532	4	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[3x6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:	C[3x6]-4:C[5]-4:C[5]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-4:O-1:	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]C[5]O)	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2)	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(O)	N[5](C[3x6]C[6,6]3)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,4|C<4>,8|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]2){1|O<1>,5|C<4>,5|H<1>}	C[5](N[5]C[3x6]C[5])(C[5]C[5]CH)(O){1|C<3>,3|C<4>,3|H<1>}	123.4200	0.000	1	123.4200	0.000	1	123.4200	0.000	1	123.4200	0.000	1	125.1700	6.610	83	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6,6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6,6]-4:C[5]-3:C[5]-3:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5,6a]O)2	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6,6]C[5])(O)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5,6a]O)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[3x6]C[6,6]O[6,6]H)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6,6]C[5])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.1785	5.401	4	124.1785	29.173	4	124.1785	29.173	4	124.1785	29.173	4	122.7794	17.972	7	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6,6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:	C[6,6]-4:C[5]-4:C[5]-3:	C[3x6]-4:C[6,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(O)	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[6,6](C[3x6]C[6,6]2N)(C[6,6]C[3x6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,2|O<1>,3|C<4>,3|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	120.9140	1.011	3	120.9140	1.023	3	120.9140	1.023	3	120.9140	1.023	3	122.7794	17.972	7	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6]-3:N[5]-3:C[6]-3:	N[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(C[5]O[5]N)	C[6](N[5]C[5,6]C[5])(C[6]C[6]HH)2(H)	C[5,6](C[5,6]C[6]O[5])(N[5]C[5]C[6])(C[6]C[6]O)	N[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(C[5]O[5]N){1|O<1>,4|C<4>,4|H<1>}	C[6](N[5]C[5,6]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[6]O[5])(N[5]C[5]C[6])(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	125.2570	0.000	1	125.2570	0.000	1	125.2570	0.000	1	125.2570	0.000	1	125.2570	0.000	1	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	3:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-3:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]O)(C[6]C[6]HH)(N[5]C[5]2)(H){1|H<1>,1|I<1>,2|C<3>,2|C<4>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.2932	1.716	10	123.2932	2.946	10	123.2932	2.946	10	123.2932	2.946	10	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	3:4:4:1:	3:3:1:	C[5]-3:N[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H)	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H)	N[5](C[5]C[5,6a]H)(N[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]N[5])(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	129.9558	2.422	6	129.9558	5.866	6	129.9558	5.866	6	129.9558	5.866	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	3:4:4:1:	4:3:1:	C[5,6a]-3:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C[6])(O)	N[5](C[5,6a]C[5,6a]N[6a])(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,6a]2N[5])(N[5]C[5,6a]C[6])(O){1|H<1>,2|N<2>,3|C<3>,3|C<4>}	122.1820	0.000	1	122.1820	0.000	1	122.1820	0.000	1	122.1820	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	3:4:4:1:	6:3:3:	Ge[5]-3:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-3:	N[5](Ge[5]C[5x3,6x5,20x6]Cl)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H)	C[6](N[5]Ge[5]C[5])(C[6]C[6]HH)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Ge[5]C[6])(NC[6]H)	N[5](Ge[5]C[5x3,6x5,20x6]Cl)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H){2|C<4>,4|H<1>,6|B<6>}	C[6](N[5]Ge[5]C[5])(C[6]C[6]HH)2(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<6>,4|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Ge[5]C[6])(NC[6]H){1|Cl<1>,2|C<4>,5|B<6>,5|H<1>}	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	121.7700	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:F-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2F)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2F){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(F){2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|F<1>,1|H<1>,1|O<1>,3|C<3>}	124.2089	2.589	8	124.2089	6.702	8	124.2089	6.702	8	123.9593	3.860	36	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]N[5,6]O)(N[5]C[5]2)(H){1|F<1>,2|C<4>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.0915	4.950	2	124.0915	24.507	2	123.8880	3.243	28	123.9593	3.860	36	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.0905	2.809	2	124.0905	7.892	2	123.8880	3.243	28	123.9593	3.860	36	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.4130	2.203	2	123.7693	1.936	16	123.8880	3.243	28	123.9593	3.860	36	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.9010	2.570	2	123.7693	1.936	16	123.8880	3.243	28	123.9593	3.860	36	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.3330	2.700	2	123.7693	1.936	16	123.8880	3.243	28	123.9593	3.860	36	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	124.7103	0.442	4	123.7693	1.936	16	123.8880	3.243	28	123.9593	3.860	36	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.3623	0.950	6	123.7693	1.936	16	123.8880	3.243	28	123.9593	3.860	36	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]O[6]O)(N[5]C[5]2)(H){2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.9342	1.125	4	123.9342	1.265	4	123.8880	3.243	28	123.9593	3.860	36	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(N[5]C[5]2)(H){1|C<4>,1|H<1>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.1138	2.690	4	124.1138	7.238	4	123.8880	3.243	28	123.9593	3.860	36	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C[6])(O)	N[5](C[5]C[4,5]O)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]C[6])(O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	123.0680	0.259	2	123.0680	0.067	2	123.0680	0.067	2	122.9520	0.257	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:3:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:O-1:	N[5](C[5]C[5,6]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6]O)2(C[6]C[6]2H){1|N<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C[6])(O){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	122.8360	0.806	2	122.8360	0.650	2	122.8360	0.650	2	122.9520	0.257	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<4>,2|H<1>,3|C<3>}	122.8130	0.000	1	122.8130	0.000	1	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HO)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.1980	1.396	2	124.1980	1.948	2	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]HH)(N[5]C[5]2)(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.4543	4.797	4	124.4543	23.007	4	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,2|C<4>}	123.6525	4.003	2	123.6525	16.023	2	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.7360	3.769	2	124.7360	14.204	2	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.6280	4.896	2	124.4660	7.111	6	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.3850	1.958	4	124.4660	7.111	6	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>,2|O<2>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.1965	1.172	2	124.1965	1.373	2	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	123.7743	2.019	3	124.3513	3.012	16	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	124.5603	0.844	3	124.3513	3.012	16	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.4616	1.954	10	124.3513	3.012	16	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,2|C<3>,2|H<1>,3|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.9967	1.280	4	123.9967	1.640	4	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|C<4>,1|S<2>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HS)(N[5]C[5]2)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.1680	1.484	2	124.1680	2.201	2	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.2688	2.698	12	123.2688	7.278	12	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	124.1740	1.821	4	124.1740	3.315	4	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.8815	2.064	4	123.8815	4.262	4	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H)	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]N[6a]C[6]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.5475	4.509	2	123.5475	20.333	2	124.0235	5.283	63	124.0235	5.283	63	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	3:3:3:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C-3:	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H)	N[5](C[5]C[5,6a]C)(C[5]C[5,6a]O)(C[6]C[6]2H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(CC[6a]H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	125.0720	0.000	1	125.0720	0.000	1	125.0720	0.000	1	125.0720	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:1:	4:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[4,5]-4:N[5]-3:O-1:	N[5](C[5]C[4,5]O)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[4,5]C[4,5]C[4,6]H)(N[5]C[5]C[6])(O)	N[5](C[5]C[4,5]O)2(C[6]C[6]2H){4|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){2|O<1>,3|C<4>,4|H<1>}	C[5](C[4,5]C[4,5]C[4,6]H)(N[5]C[5]C[6])(O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	123.6418	1.664	12	123.6418	2.770	12	123.6418	2.770	12	123.6418	2.770	12	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	124.2101	1.270	8	124.2124	1.392	10	124.2124	1.392	10	124.2124	1.392	10	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:3:4:	4:4:3:3:	3:3:1:	C[5]-3:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:C-3:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]O)2(C[6]C[6]2C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]O)2(C[6]C[6]2C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(CHO){2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	124.2215	1.108	2	124.2124	1.392	10	124.2124	1.392	10	124.2124	1.392	10	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	3:4:2:1:	3:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:O[6]-2:H-1:	C[5]-3:N[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H)	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C[6])(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,6a]C[5])(N[5]C[5,6a]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.7835	0.490	2	118.7835	0.240	2	118.7835	0.240	2	119.0500	0.333	3	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	3:4:2:1:	3:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:O[6]-2:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H)	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]C)(O)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]O[6]H)(C[5]C[5]O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HO)(O[6]C[6])(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[5,6a]C[6])(C[5]C[5,6a]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.5830	0.000	1	119.5830	0.000	1	119.5830	0.000	1	119.0500	0.333	3	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:2:2:	C[5,6]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:O[5]-2:N-2:	N[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(C[5]O[5]N)	C[6](N[5]C[5,6]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]C[5,6]C[6])(O[5]C[5,6])(NC[6])	N[5](C[5,6]C[5,6]C[6])(C[6]C[6]2H)(C[5]O[5]N){1|O<1>,4|C<4>,4|H<1>}	C[6](N[5]C[5,6]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5,6]C[6])(O[5]C[5,6])(NC[6]){1|C<3>,1|H<1>,3|C<4>}	123.4060	0.000	1	123.4060	0.000	1	123.4060	0.000	1	123.4060	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:3:1:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]S){2|C<3>,3|C<4>,5|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(S){1|H<1>,2|C<3>,2|C<4>}	122.8345	0.207	2	122.8345	0.043	2	122.8345	0.043	2	122.8345	0.043	2	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:3:3:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]Rh)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]Rh){1|H<1>,2|C<3>,2|C<4>}	124.2305	0.438	2	124.2305	0.192	2	124.2305	0.192	2	124.2305	0.192	2	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	3:4:4:1:	3:3:4:	C[5,6a]-3:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C)	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH)	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(C[5]N[5]C){2|C<3>,3|C<4>,5|H<1>}	C[6](N[5]C[5,6a]C[5])(C[6]C[6]HH)2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]C)(CC[5]HH){1|H<1>,2|C<3>,2|C<4>}	126.2368	0.102	8	126.2368	0.010	8	126.2368	0.010	8	126.2368	0.010	8	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	3:2:1:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[5]C[4]C[5])(C[6]C[6]2H)(C[5]S[5]S)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(S[5]C[5])(S)	N[5](C[5]C[4]C[5])(C[6]C[6]2H)(C[5]S[5]S){4|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|S<1>,1|S<2>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(S[5]C[5])(S){2|H<1>,3|C<4>}	124.0770	0.000	1	124.0770	0.000	1	124.0770	0.000	1	124.0770	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	3:3:1:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H){1|B<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|B<4>,1|H<1>,3|C<4>}	124.3105	0.025	2	124.3105	0.001	2	124.3105	0.001	2	123.0795	2.023	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	3:3:1:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H){1|H<1>,2|C<3>,2|C<4>}	121.8485	0.087	2	121.8485	0.008	2	121.8485	0.008	2	123.0795	2.023	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	3:3:3:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:C[6a]-3:	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]H){1|N<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C[6])(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	128.5915	0.033	2	128.5915	0.001	2	128.5915	0.001	2	127.7272	19.115	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	3:3:3:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Ir)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Ir){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Ir<6>,2|C<3>,3|C<4>,3|H<1>}	122.4480	0.000	1	122.4480	0.000	1	127.2950	31.110	4	127.7272	19.115	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	3:3:3:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Pd)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Pd){1|N<3>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Pd<4>,2|C<3>,3|C<4>,3|H<1>}	132.1100	0.769	2	132.1100	0.592	2	127.2950	31.110	4	127.7272	19.115	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	3:3:3:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Rh)	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H)	N[5](C[5]C[6a]C[5])(C[6]C[6]2H)(C[5]N[5]Rh){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HN)(N[5]C[5]2)(H){1|Rh<6>,1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]N[5]H){1|Rh<6>,2|C<3>,3|C<4>,3|H<1>}	122.5120	0.000	1	122.5120	0.000	1	127.2950	31.110	4	127.7272	19.115	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	3:4:3:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[4]-4:C[5]-3:	N[5](C[5]C[4]C[5])(C[6]C[6]2H)(C[5]S[5]S)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[4]C[4]2H)(C[5]S[5]H)	N[5](C[5]C[4]C[5])(C[6]C[6]2H)(C[5]S[5]S){4|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|S<1>,1|S<2>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[4]C[4]2H)(C[5]S[5]H){1|S<1>,3|C<4>,5|H<1>}	121.0970	0.000	1	121.0970	0.000	1	121.0970	0.000	1	121.0970	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:3:	4:4:3:1:	4:3:3:	C[5]-3:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	B[5]-4:N[5]-3:N[5]-3:	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](B[5]B[5]O[5]2)(N[5]C[5]C[6])2	N[5](C[5]B[5]N[5])(C[6]C[6]2H)(C[5]C[5]H){1|B<3>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](B[5]B[5]O[5]2)(N[5]C[5]C[6])2{2|O<2>,4|H<1>,6|C<4>}	124.8455	0.240	2	124.8455	0.057	2	124.8455	0.057	2	124.8455	0.057	2	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:4:	4:4:3:1:	3:3:3:	C[5]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Ni)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Ni<4>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Ni){2|C<3>,3|C<4>,5|H<1>}	127.2260	0.249	2	127.2260	0.062	2	126.8510	0.534	5	126.8510	0.534	5	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	3:4:4:	4:4:3:1:	3:3:3:	C[5]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Pt<4>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt){2|C<4>,3|C<3>,5|H<1>}	126.6010	0.896	3	126.6010	0.803	3	126.8510	0.534	5	126.8510	0.534	5	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:2:	3:3:3:1:	3:3:1:	C[6]-4:C[5]-3:N[5]-2:	N[5]-3:C[6]-3:C[6]-3:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5])	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H)	C[5](N[5]C[6]N[5])(N[5]C[5]C)(O)	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5]C[6]N[5])(N[5]C[5]C)(O){1|H<1>,1|O<1>,2|C<3>}	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:2:	3:3:4:1:	3:3:1:	C[6]-4:C[5]-3:P[5]-2:	C[6,6a]-3:N[5]-3:C[6]-4:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H)	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H){1|C<3>,1|H<1>,2|C<4>}	120.9385	0.042	2	120.9385	0.002	2	120.9385	0.002	2	120.9385	0.002	2	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:2:	3:4:4:1:	3:3:1:	C[6]-4:C[5]-3:N[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H)	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]){1|Co<6>,3|C<4>,4|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[6]N[5])(C[5]N[5]C)(H){1|Co<6>,1|H<1>,2|C<4>}	128.1530	1.257	2	128.1530	1.581	2	128.1530	1.581	2	123.0244	5.456	15	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:2:	3:4:4:1:	3:3:1:	C[6]-4:C[5]-3:P[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5])	C[6](N[5]C[5]P[5])(C[6]C[6]HH)2(H)	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5]){3|C<4>,5|H<1>}	C[6](N[5]C[5]P[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[6]P[5])(C[5]N[5]H)(H){1|H<1>,3|C<4>}	121.6690	1.010	8	121.6690	1.019	8	121.6690	1.019	8	123.0244	5.456	15	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:2:	3:4:4:1:	3:3:1:	C[6]-4:C[5]-3:Se[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5])	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]Se[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5]){3|C<4>,5|H<1>}	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]Se[5]C[6])(C[5]N[5]H)(H){1|H<1>,3|C<4>}	123.1702	0.310	4	123.1702	0.096	4	123.1702	0.096	4	123.0244	5.456	15	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:2:	3:4:4:1:	3:3:1:	C[6]-4:C[5]-3:Se[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5])	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]Se[5]C[6])(C[5]C[5]N)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5]Se[5]C[6])(C[5]C[5]N)(O){1|C<3>,1|H<1>,2|C<4>}	123.0270	0.000	1	123.0270	0.000	1	123.0270	0.000	1	123.0244	5.456	15	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:2:	3:4:4:1:	3:4:2:	C[6]-4:C[5]-3:O[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C-4:O[5]-2:	N[5](C[6]C[6]2H)(C[5]O[5]C)(O[5]B[5])	C[6](N[5]C[5]O[5])(C[6]C[6]HH)2(H)	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5])	N[5](C[6]C[6]2H)(C[5]O[5]C)(O[5]B[5]){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5]O[5])(C[6]C[6]HH)2(H){1|B<4>,1|O<2>,2|C<4>,4|H<1>}	C[5](N[5]C[6]O[5])(CC[6a]2O)(O[5]B[5]){1|H<1>,2|C<3>,2|C<4>}	132.9510	0.000	1	132.9510	0.000	1	132.9510	0.000	1	132.9510	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	3:4:2:1:	3:4:1:	C[6]-4:C[5]-3:N[5]-3:	N[5]-3:C[6]-4:O[6]-2:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H)	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H)	C[5](N[5]C[6]N[5])(C[5]C[5]CC)(O)	N[5](C[6]C[6]O[6]H)(C[5]C[5]O)(N[5]C[5]H){1|O<1>,2|H<1>,4|C<4>}	C[6](N[5]C[5]N[5])(C[6]C[6]HH)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](N[5]C[6]N[5])(C[5]C[5]CC)(O){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	123.7550	0.000	1	123.7550	0.000	1	123.7550	0.000	1	123.7550	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	3:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5,6a]O)2{1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	123.8360	1.769	10	123.8360	3.131	10	123.8360	3.131	10	123.8360	3.131	10	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ir)(C[5]C[5]H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ir)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ir<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ir<8>,1|H<1>,1|O<2>,2|C<4>}	123.2555	0.593	2	123.2555	0.352	2	124.0160	0.830	6	124.0160	0.830	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ni)(C[5]C[5]H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Ni)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Ni<4>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ni<4>,1|H<1>,1|O<2>,2|C<4>}	125.1010	0.223	2	125.1010	0.050	2	124.0160	0.830	6	124.0160	0.830	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]O[6]H)(C[5]N[5]Pt)(C[5]C[5]H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Pt)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Pt<6>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<6>,1|H<1>,1|O<2>,2|C<4>}	123.8040	0.000	1	123.8040	0.000	1	124.0160	0.830	6	124.0160	0.830	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:3:2:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]O[6]H)(C[5]N[5]Rh)(C[5]C[5]H)	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]O[6]H)(C[5]N[5]Rh)(C[5]C[5]H){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HO)(N[5]C[5]2)(O[6]C[6])(H){1|Rh<8>,1|C<3>,1|N<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<8>,1|H<1>,1|O<2>,2|C<4>}	123.5790	0.000	1	123.5790	0.000	1	124.0160	0.830	6	124.0160	0.830	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:2:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:S[5]-2:S-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]S[5]S)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(S[5]C[5])(S)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]S[5]S){2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|O<1>,1|S<1>,1|S<2>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(S[5]C[5])(S){1|O<1>,2|C<4>,3|H<1>}	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	122.3380	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:2:3:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-2:N-3:	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(N[5]C[5])(NC[6]H)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N){2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(N[5]C[5])(NC[6]H){1|O<1>,2|C<4>,3|H<1>}	128.6090	0.000	1	128.6090	0.000	1	128.6090	0.000	1	128.6090	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|B<4>,1|H<1>,3|C<4>}	124.4545	0.425	2	124.4545	0.181	2	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){1|C<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|H<1>,3|C<4>}	122.8900	0.000	1	124.2422	1.160	21	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<2>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|H<1>,3|C<4>}	124.3990	0.000	1	124.2422	1.160	21	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,4|C<4>}	123.9705	0.723	2	124.2422	1.160	21	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|C<3>,1|H<1>,3|C<4>}	124.3445	1.132	17	124.2422	1.160	21	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	125.1270	0.000	1	125.1270	0.000	1	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){2|H<1>,3|C<4>}	127.2165	0.145	2	127.2165	0.021	2	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|H<1>,1|S<1>,3|C<4>}	125.1650	1.280	2	125.1650	1.638	2	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Co<3>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Co<3>,1|H<1>,3|C<4>}	124.4903	0.918	6	124.1020	0.795	30	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Co)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Co<4>,1|H<1>,3|C<4>}	124.0049	0.877	24	124.1020	0.795	30	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Cu)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Cu)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Cu<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Cu<2>,1|H<1>,3|C<4>}	124.1750	0.000	1	124.1750	0.000	1	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Fe<8>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<8>,1|C<3>,1|H<1>,2|C<4>}	120.3530	0.000	1	120.0447	0.104	3	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Fe)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Fe<8>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Fe<8>,1|H<1>,3|C<4>}	119.8905	0.257	2	120.0447	0.104	3	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Ni)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ni)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ni<7>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ni<7>,1|H<1>,3|C<4>}	125.3030	0.293	2	125.3030	0.086	2	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,3|C<4>}	126.0555	0.368	2	126.0555	0.136	2	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pd<4>,1|H<1>,3|C<4>}	124.0992	1.377	8	124.0992	1.897	8	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pt<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<4>,1|H<1>,3|C<4>}	123.9898	1.306	14	124.1382	1.652	16	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Pt)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Pt<5>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Pt<5>,1|H<1>,3|C<4>}	125.1770	0.393	2	124.1382	1.652	16	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<4>,1|H<1>,3|C<4>}	122.9778	1.840	8	123.5947	4.382	10	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|H<1>,3|C<4>}	126.0625	0.713	2	123.5947	4.382	10	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H)	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Rh)(C[5]C[5]H){2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[6]HO)(C[6]O[6]HO)(N[5]C[5]2)(H){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Rh<6>,1|H<1>,3|C<4>}	124.6505	1.015	2	124.6505	1.030	2	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<5>,1|H<1>,3|C<4>}	124.0400	0.784	4	123.1076	1.956	13	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,3|C<4>}	122.9910	1.452	7	123.1076	1.956	13	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Ru<8>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<8>,1|H<1>,3|C<4>}	121.6510	1.072	2	123.1076	1.956	13	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H)	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Ru)(C[5]C[5]H){3|C<4>,4|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Ru<6>,1|H<1>,3|C<4>}	131.2990	0.526	2	131.2990	0.277	2	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Se<1>,1|H<1>,3|C<4>}	125.0495	0.026	2	125.5087	0.657	15	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]H)(H){1|Se<2>,1|H<1>,3|C<4>}	125.5793	0.852	13	125.5087	0.657	15	124.3019	2.957	132	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	123.9265	3.357	2	123.9265	11.267	2	124.7862	3.635	12	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]C)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]C)(O){1|H<1>,1|O<1>,3|C<4>}	122.7700	0.445	2	122.7700	0.198	2	124.7862	3.635	12	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]O)(O){1|H<1>,1|O<1>,3|C<4>}	125.4993	1.835	4	125.4993	3.369	4	124.7862	3.635	12	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]H)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	126.5880	0.137	2	126.5880	0.019	2	124.7862	3.635	12	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]N)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)2{1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]N)(O){1|O<1>,2|C<4>,2|H<1>}	124.4340	0.106	2	124.4340	0.011	2	124.7862	3.635	12	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](N[5]C[5]C[6])(N[5]C[5]C)(H){2|C<4>,3|H<1>}	126.4340	0.000	1	126.4340	0.000	1	125.2677	1.067	3	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(H)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](N[5]C[5]C[6])2(H){4|C<4>,4|H<1>}	124.6845	0.305	2	124.6845	0.093	2	125.2677	1.067	3	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]N[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(O)	N[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])2(O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	121.8325	0.624	2	121.8325	0.390	2	123.2891	2.998	8	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5](N[5]C[5]C[6])2(O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	125.4875	0.756	2	123.7747	2.988	6	123.2891	2.998	8	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5](N[5]C[5]C[6])2(O){2|H<1>,2|O<1>,4|C<4>}	122.9183	1.362	4	123.7747	2.988	6	123.2891	2.998	8	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:S-1:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(S)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]S){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,5|H<1>}	C[5](N[5]C[5]C[6])2(S){4|C<4>,4|H<1>}	124.3920	1.879	2	124.3920	3.532	2	124.3920	3.532	2	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:Se-1:	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(Se)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])2(Se){4|C<4>,4|H<1>}	125.1500	0.037	2	125.1500	0.001	2	125.1500	0.001	2	124.3175	2.970	159	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(NC[6a])	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,1|O<1>,4|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(NC[6a]){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	123.6695	3.169	2	123.6695	10.040	2	123.6695	10.040	2	124.6321	1.739	16	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(SeAg)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])2(SeAg){4|C<4>,4|H<1>}	124.6037	1.023	12	124.6037	1.048	12	124.7696	1.071	14	124.6321	1.739	16	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:2:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:Se-2:	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(SeAu)	N[5](C[6]C[6]2H)(C[5]N[5]Se)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|Se<2>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])2(SeAu){4|C<4>,4|H<1>}	125.7650	0.293	2	125.7650	0.086	2	124.7696	1.071	14	124.6321	1.739	16	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:C-3:	N[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]N[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[5]H)	N[5](C[6]C[6]2H)(C[5]C[5]C)(C[5]N[5]O){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[5]H){1|H<1>,1|O<1>,3|C<4>}	125.7645	0.105	2	125.7645	0.011	2	125.7645	0.011	2	126.6795	1.555	21	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(CNN)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){1|C<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](N[5]C[5]C[6])2(CNN){4|C<4>,4|H<1>}	127.4810	0.000	1	127.1269	0.987	15	126.7758	1.624	19	126.6795	1.555	21	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(CNN)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<2>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])2(CNN){4|C<4>,4|H<1>}	127.7090	0.000	1	127.1269	0.987	15	126.7758	1.624	19	126.6795	1.555	21	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(CNN)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])2(CNN){4|C<4>,4|H<1>}	127.0549	1.052	13	127.1269	0.987	15	126.7758	1.624	19	126.6795	1.555	21	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:3:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:C-3:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(CSS)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])2(CSS){4|C<4>,4|H<1>}	125.4592	1.487	4	125.4592	2.210	4	126.7758	1.624	19	126.6795	1.555	21	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:4:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:B-4:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(BH3)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]B){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]C[6])2(BH3){4|C<4>,4|H<1>}	125.0550	0.810	2	125.0550	0.657	2	125.0550	0.657	2	125.9527	1.458	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:3:4:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:C-4:	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(CMnSS)	N[5](C[6]C[6]2H)(C[5]C[5]H)(C[5]N[5]C){3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])2(CMnSS){4|C<4>,4|H<1>}	126.8505	0.704	2	126.8505	0.495	2	126.8505	0.495	2	125.9527	1.458	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]N[5]N){2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]N[5]HH)(O){1|H<1>,1|N<3>,2|C<4>}	124.0670	0.000	1	124.0670	0.000	1	123.0225	3.281	4	123.0225	3.281	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]S[5]S)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)(C[5]S[5]S){2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|O<1>,1|S<1>,1|S<2>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O){1|H<1>,1|S<1>,2|C<4>}	121.4250	0.000	1	121.4250	0.000	1	123.0225	3.281	4	123.0225	3.281	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:4:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6]C[6]2H)(C[5]C[5]O)2	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O)	N[5](C[6]C[6]2H)(C[5]C[5]O)2{2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O){1|O<1>,2|C<4>,3|H<1>}	123.2990	2.459	2	123.2990	6.048	2	123.0225	3.281	4	123.0225	3.281	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	3:4:2:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:N-2:	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(NH)	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|S<1>,3|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(NH){1|C<3>,1|S<1>,2|C<4>,2|H<1>}	124.0570	0.000	1	124.0570	0.000	1	124.0570	0.000	1	124.0570	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	4:4:3:1:	4:3:1:	C[6]-4:C[5]-3:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:S-1:	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C[6])(S)	N[5](C[6]C[6]2H)(C[5]C[5]N)(C[5]C[5]S){1|C<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|S<1>,3|C<4>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C[6])(S){1|C<2>,1|H<1>,1|N<2>,2|C<4>,3|C<3>}	121.2590	0.000	1	121.2590	0.000	1	121.2590	0.000	1	121.2590	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:4:	3:4:4:1:	3:3:1:	B[5]-4:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:H-1:	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6]C[6]2H)	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C[6])(H)	N[5](B[5]C[5,6a]OO)(C[5]C[5,6a]H)(C[6]C[6]2H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)(C[6]C[6]HO)(H){1|C<4>,2|C<3>,2|O<2>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]B[5]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	123.9435	0.847	4	123.9435	0.717	4	123.9435	0.717	4	122.7038	5.036	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5,5]-4:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6])(O)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)(C[6]C[6]HN)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]C[6])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	118.7100	0.000	1	118.7100	0.000	1	118.7100	0.000	1	122.7038	5.036	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:4:	3:4:4:1:	3:3:1:	S[5]-4:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O)	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6]C[6]2H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|O<1>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	121.7390	0.000	1	121.7390	0.000	1	121.7390	0.000	1	122.7038	5.036	6	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:4:	3:4:4:1:	4:3:1:	C[5,5]-4:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,5]-4:N[5]-3:O-1:	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]O)(C[6]C[6]2H)	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	C[5](C[5,5]C[3x5]C[6a]N[5])(N[5]C[5,5]C[6])(O)	N[5](C[5,5]C[3x5]N[5]H)(C[5]C[5,5]O)(C[6]C[6]2H){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5](C[5,5]C[3x5]C[6a]N[5])(N[5]C[5,5]C[6])(O){1|N<3>,2|H<1>,4|C<3>,4|C<4>}	124.7500	0.000	1	124.7500	0.000	1	124.7500	0.000	1	124.7500	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:4:	3:4:4:1:	6:3:2:	Si[5]-4:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:N-2:	N[5](Si[5]C[5x3,6x5,20x6]C[6a]2)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H)	C[6](N[5]Si[5]C[5])(C[6]C[6]HH)2(H)	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C[6])(NC[6])	N[5](Si[5]C[5x3,6x5,20x6]C[6a]2)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H){2|C<4>,4|C<3>,4|H<1>,6|B<6>}	C[6](N[5]Si[5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|N<2>,2|C<3>,2|C<6>,4|H<1>}	C[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]Si[5]C[6])(NC[6]){2|C<3>,2|C<4>,5|B<6>,5|H<1>}	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	115.6530	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:4:	4:3:3:1:	3:3:1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]N[6]O)(N[5]C[5]2)(H){1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){1|C<4>,3|C<3>,4|H<1>}	122.0888	0.382	4	122.0888	0.146	4	122.0888	0.146	4	122.0888	0.146	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]HH)(C[5]C[5,6a]O)(C[6]C[6]2H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O){2|C<3>,2|C<4>,4|H<1>}	122.8350	0.228	2	122.8350	0.052	2	122.6137	0.173	3	123.9403	7.155	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C[6])(O)	N[5](C[5]C[5,6a]HO)(C[5]C[5,6a]O)(C[6]C[6]2H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C[6])(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	122.1710	0.000	1	122.1710	0.000	1	122.6137	0.173	3	123.9403	7.155	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	3:3:1:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5,5]-3:N[5]-3:H-1:	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C[6])(H)	N[5](C[5]C[5,5]HH)(C[5]N[5,5]H)(C[6]C[6]2H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<3>,2|C<4>,7|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(N[5]C[5]C[6])(H){2|C<3>,3|C<4>,4|H<1>}	127.9200	0.000	1	127.9200	0.000	1	127.9200	0.000	1	123.9403	7.155	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:3:4:	4:4:3:1:	3:3:3:	C[5]-4:C[5]-3:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5])(C[6]C[6]2H){1|Pt<4>,2|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt){2|C<4>,4|C<3>,4|H<1>}	127.2185	1.342	4	127.2185	1.800	4	127.2185	1.800	4	127.2185	1.800	4	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	2:4:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	O[6]-2:C[6]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]O[5]O)	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){1|C<4>,1|O<2>,5|H<1>}	121.7065	1.528	2	121.7065	2.335	2	121.7065	2.335	2	121.7065	2.335	2	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:3:2:1:	3:3:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-3:N[5]-3:O[6]-2:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O)	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]N[5]O){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6]C)(N[5]C[5]2)(O[6]C[6])(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.7870	0.000	1	118.7870	0.000	1	118.7870	0.000	1	118.7870	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:3:4:1:	3:3:1:	C[6]-4:S[5]-4:C[5]-3:	C[5a,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:O-1:	N[5](C[6]C[5a,6]C[6]H)(S[5]C[5,6a]OO)(C[5]C[5,6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O)	N[5](C[6]C[5a,6]C[6]H)(S[5]C[5,6a]OO)(C[5]C[5,6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6]S[5])(O){1|C<4>,2|H<1>,2|O<1>,3|C<3>}	121.0150	0.000	1	121.0150	0.000	1	121.0150	0.000	1	121.0150	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6]H)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,5|H<1>}	123.3310	0.000	1	123.3310	0.000	1	123.3310	0.000	1	123.3310	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	122.2450	0.000	1	122.2450	0.000	1	121.8464	1.058	5	121.8464	1.058	5	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	120.9220	0.000	1	121.7468	1.344	4	121.8464	1.058	5	121.8464	1.058	5	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:	C[6]-4:C[5]-4:C[5]-3:	C[6,6a]-3:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O)	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,5|H<1>}	122.0217	1.250	3	121.7468	1.344	4	121.8464	1.058	5	121.8464	1.058	5	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	C[5,5]-4:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5]-3:O-1:	N[5](C[5,5]C[5,5]O[5]O)(C[6]C[6]2H)(C[5]C[5]O)	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]C)(O)	N[5](C[5,5]C[5,5]O[5]O)(C[6]C[6]2H)(C[5]C[5]O){4|H<1>,5|C<4>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,2|O<2>,4|H<1>}	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]C)(O){1|H<1>,2|O<2>,3|C<4>}	121.2350	0.000	1	121.2350	0.000	1	121.2350	0.000	1	120.0660	1.062	3	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	Ga[5]-4:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5]-3:H-1:	N[5](Ga[5]N[5]CC)(C[6]C[6]2H)(C[5]C[5]H)	C[6](N[5]Ga[5]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]Ga[5]C[6])(C[5]N[5]H)(H)	N[5](Ga[5]N[5]CC)(C[6]C[6]2H)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](N[5]Ga[5]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](N[5]Ga[5]C[6])(C[5]N[5]H)(H){1|H<1>,5|C<4>}	119.4815	0.271	2	119.4815	0.073	2	119.4815	0.073	2	120.0660	1.062	3	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:3:3:	B[5]-4:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](B[5]B[5]Cl2)(C[6]C[6]2H)(C[5]N[5]N)	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]B[5]C[6])2(NCC)	N[5](B[5]B[5]Cl2)(C[6]C[6]2H)(C[5]N[5]N){1|N<3>,3|C<4>,4|H<1>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H){2|Cl<1>,1|B<3>,1|C<4>,2|N<3>,4|H<1>}	C[5](N[5]B[5]C[6])2(NCC){2|Cl<1>,1|N<3>,2|H<1>,4|C<4>}	120.0680	0.000	1	120.0680	0.000	1	120.0680	0.000	1	120.0680	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,5]-4:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2H)(C[5]C[5]O)	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]HH)(O)	N[5](C[5,5]C[5,5]O[5]C)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,7|H<1>}	C[6](N[5]C[5,5]C[5])(C[6]C[6]HH)2(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](N[5]C[5,5]C[6])(C[5]C[5,5]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	125.5830	0.000	1	125.5830	0.000	1	125.5830	0.000	1	125.5830	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,5|H<1>}	121.1290	0.293	2	121.1290	0.086	2	122.4246	1.520	5	122.4246	1.520	5	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(N[5]C[5]2)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	123.4410	0.000	1	123.4410	0.000	1	122.4246	1.520	5	122.4246	1.520	5	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	123.2120	0.602	2	123.2120	0.363	2	122.4246	1.520	5	122.4246	1.520	5	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	126.1660	0.000	1	126.1660	0.000	1	122.7555	23.263	2	122.7555	23.263	2	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:3:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]N[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]O)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(N[5]C[5]C)(O){2|C<3>,2|C<4>,3|H<1>}	119.3450	0.000	1	119.3450	0.000	1	122.7555	23.263	2	122.7555	23.263	2	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O){1|N<3>,2|C<4>,5|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){3|C<4>,4|H<1>}	119.7415	2.067	2	119.7415	4.272	2	119.7530	0.797	8	119.7530	0.797	8	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]O[5]O){2|C<4>,2|O<2>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){3|C<4>,4|H<1>}	118.9180	0.000	1	118.9180	0.000	1	119.7530	0.797	8	119.7530	0.797	8	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(C[5]O[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]C[6]H)(C[5]O[5]O){1|N<3>,4|C<4>,6|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){3|C<4>,4|H<1>}	119.8847	0.471	3	119.8847	0.222	3	119.7530	0.797	8	119.7530	0.797	8	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	119.9845	0.077	2	119.9845	0.006	2	119.7530	0.797	8	119.7530	0.797	8	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:3:2:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(NTi)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N){3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])2(NTi){4|C<4>,6|H<1>}	122.8730	0.000	1	122.8730	0.000	1	122.8730	0.000	1	122.8730	0.000	1	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:	N[5](C[5]C[5]CC)(C[6]C[6]2H)(C[5]C[5]H)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(H)	N[5](C[5]C[5]CC)(C[6]C[6]2H)(C[5]C[5]H){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,5|H<1>,6|C<4>}	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(H){3|H<1>,4|C<4>}	123.5995	0.118	2	123.5995	0.014	2	123.5995	0.014	2	122.0273	3.740	7	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(O)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){2|C<4>,2|O<2>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(O){2|C<4>,5|H<1>}	122.8660	0.000	1	122.8660	0.000	1	121.3984	3.876	5	122.0273	3.740	7	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,4|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(O){2|C<4>,5|H<1>}	123.8850	0.000	1	123.8850	0.000	1	121.3984	3.876	5	122.0273	3.740	7	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,2|O<1>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<4>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	120.4790	0.000	1	120.0803	0.979	3	121.3984	3.876	5	122.0273	3.740	7	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-1:	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O)	N[5](C[5]C[6a]S[5]H)(C[6]C[6]2H)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]S[5]HH)(O){1|C<3>,2|C<4>,2|H<1>}	119.8810	1.311	2	120.0803	0.979	3	121.3984	3.876	5	122.0273	3.740	7	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:2:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-2:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(OPd)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){2|C<4>,8|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|O<2>,3|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(OPd){2|C<4>,5|H<1>}	123.3310	0.000	1	123.3310	0.000	1	123.4605	0.034	2	123.4605	0.034	2	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP2_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:4:2:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:O-2:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O)	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(OH)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]C[5]O){1|N<3>,2|C<4>,7|H<1>}	C[6](C[6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<2>,4|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(OH){2|C<4>,5|H<1>}	123.5900	0.000	1	123.5900	0.000	1	123.4605	0.034	2	123.4605	0.034	2	124.1085	5.643	483	124.3715	6.868	954
542	466	818	0:SP3_SP2_SP3	N[5,6,6]	C[3x6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[5,6a]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[6,6]2H)(C[5]C[5,6a]O){1|C<4>,3|H<1>,4|C<3>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(C[6,6]C[6,6]H)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O){2|H<1>,3|C<3>,3|C<4>}	116.9120	0.000	1	116.9120	0.000	1	116.9120	0.000	1	118.1675	3.153	2	118.2893	1.621	3	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6,6]	C[3x6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:H-1:	N[5,6,6]-3:C[5]-3:H-1:	N[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H)	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]H)(H)	N[5,6,6](C[5,6,6]C[3x6]C[5]C)(C[3x6]C[6,6]2H)(C[5]C[5]H){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[3x6](N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]ClC)(C[6,6]C[6,6]H)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5]C[5]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	119.4230	0.000	1	119.4230	0.000	1	119.4230	0.000	1	118.1675	3.153	2	118.2893	1.621	3	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6,6]	C[3x6]	C[5]	4:4:3:	4:3:4:1:	3:3:1:	C[5,6,6]-4:C[3x6]-4:C[5]-3:	C[3,6,6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	N[5,6,6]-3:C[5,6a]-3:O-1:	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[3,6,6]C[6,6]H)(C[5]C[5,6a]O)	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H)	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O)	N[5,6,6](C[5,6,6]C[5,6a]C[3x6]C)(C[3x6]C[3,6,6]C[6,6]H)(C[5]C[5,6a]O){1|O<2>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3,6,6]C[3,6,6]O[3]H)(N[5,6,6]C[5,6,6]C[5])(C[6,6]C[6,6]CH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5](N[5,6,6]C[5,6,6]C[3x6])(C[5,6a]C[5,6a]C[6a])(O){2|C<3>,2|H<1>,4|C<4>}	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	118.5330	0.000	1	118.2893	1.621	3	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	3:4:3:	3:3:3:1:	3:3:1:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){2|H<1>,5|C<3>}	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:2:1:1:	3:3:1:	C[5,5,6,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH)	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2	C[5](N[5,6]C[5,5,6,6]C[6])2(O)	N[5,6](C[5,5,6,6]C[5,5,6,6]N[5,6]C[6])(C[5]N[5,6]O)(C[6]O[6]HH){1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(O[6]C[6])(H)2{1|O<1>,2|C<4>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6,6]C[6])2(O){2|C<4>,2|N<3>,2|O<2>,4|H<1>}	120.3607	0.902	4	120.3607	0.813	4	120.3607	0.813	4	120.3784	2.393	8	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:2:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]O[6]HH){1|N<3>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,2|N<3>,2|O<2>,4|H<1>}	120.3960	2.184	4	120.3960	4.770	4	120.3960	4.770	4	120.3784	2.393	8	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]2)(H)2{1|C<3>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	124.1250	0.000	1	124.1250	0.000	1	121.9206	2.619	24	122.8255	4.709	32	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	121.2516	1.633	8	121.2516	2.668	8	121.9206	2.619	24	122.8255	4.709	32	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C)(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,2|C<4>,3|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6a]C[6])(H)2{1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	121.3877	1.568	4	121.3877	2.458	4	121.9206	2.619	24	122.8255	4.709	32	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]O)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])2(O){2|C<3>,4|H<1>,4|N<3>}	121.9440	1.500	8	121.9440	2.249	8	121.9206	2.619	24	122.8255	4.709	32	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])2(O)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]H)(C[5]N[5,6]O)(C[6]N[6]HH){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])2(O){4|N<3>,6|H<1>}	123.6180	0.324	3	123.6180	0.105	3	121.9206	2.619	24	122.8255	4.709	32	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5,6]-3:S-1:	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])2(S)	N[5,6](C[5,5,6]C[5,5,6]N[5,6]C[6a])(C[5]N[5,6]S)(C[6]N[6]HH){1|N<3>,3|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|S<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])2(S){2|C<3>,4|H<1>,4|N<3>}	125.5401	1.010	8	125.5401	1.021	8	125.5401	1.021	8	122.8255	4.709	32	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[5a,6]C[5a])(C[5]C[5,6a]O)(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	122.1270	0.000	1	122.1270	0.000	1	122.1667	0.935	3	122.1667	0.935	3	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6,6a]O)(C[5]C[5,6a]O)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|O<1>,1|O<2>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	123.1530	0.000	1	123.1530	0.000	1	122.1667	0.935	3	122.1667	0.935	3	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]O[6]C)(C[5]C[5,6a]O)(C[6]C[6]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|Cl<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.2200	0.000	1	121.2200	0.000	1	122.1667	0.935	3	122.1667	0.935	3	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:1:1:	3:3:2:	C[5,5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6a]-3:N[5]-2:	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]O[5])	N[5,6](C[5,5,6]N[5,6]O[5]S[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[6a]C[6a]2)(N[5]O[5]){2|Cl<1>,1|C<4>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:3:4:	3:4:4:1:	3:3:1:	C[5,6]-4:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:N[5,6]-3:O-1:	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O){1|N<2>,2|C<3>,2|H<1>,3|C<4>}	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:2:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:O[6]-2:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]O[6]HH)(C[5]N[5]O){1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(O[6]C[6])(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]C)(O){1|O<2>,2|C<3>,2|H<1>,2|N<3>}	121.1800	1.806	3	121.1800	3.261	3	121.1800	3.261	3	121.1800	3.261	3	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]HH)(C[5]O[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6,6a]HH)(C[5]O[5]O){1|S<4>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	118.1430	0.000	1	118.1430	0.000	1	118.1430	0.000	1	118.1430	0.000	1	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]N[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]C)(C[6]N[6]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(O){2|C<3>,2|H<1>,3|N<3>}	122.3385	2.324	2	122.3385	5.402	2	123.3962	5.006	4	122.4268	6.971	6	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]O)	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(O)	N[5,6](C[5,5,6]C[5,5]N[5,6]C[6a])(C[6]N[6]HH)(C[5]N[5]O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](N[5,6]C[5,5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]H)(O){2|C<3>,2|H<1>,3|N<3>}	124.4540	2.267	2	124.4540	5.139	2	123.3962	5.006	4	122.4268	6.971	6	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){1|Br<1>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]C[5])(H)2{1|H<1>,1|O<1>,6|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]Br)(O){2|H<1>,4|C<3>}	118.4190	0.000	1	118.4190	0.000	1	118.4190	0.000	1	122.4268	6.971	6	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:3:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)	N[5,6](C[5,6]C[5]S[6]H)(C[6]C[6,6a]HH)(C[5]N[5]O){2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O){1|C<3>,1|S<2>,2|C<4>,3|H<1>}	122.5570	0.000	1	122.5570	0.000	1	122.5570	0.000	1	122.4268	6.971	6	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:3:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|F<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|N<2>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){2|C<4>,5|H<1>}	122.2350	0.000	1	122.2350	0.000	1	121.6655	0.649	2	121.6655	0.649	2	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,5|H<1>}	121.0960	0.000	1	121.0960	0.000	1	121.6655	0.649	2	121.6655	0.649	2	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[4,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[4,5,6]C[6])(C[5]C[4,5]C)(H)	N[5,6](C[4,5,6]C[4,5]C[4,6]C)(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[4,5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,6]C[4,5,6]C[6])(C[5]C[4,5]C)(H){1|C<3>,3|C<4>,3|H<1>}	120.3600	0.000	1	120.3600	0.000	1	120.3600	0.000	1	119.1162	17.938	5	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,3|H<1>,4|C<4>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.3850	1.218	2	117.0693	16.828	3	117.0693	16.828	3	119.1162	17.938	5	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:O-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O)	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[6]C[6]HH)(C[5]C[5]O){3|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	112.4380	0.000	1	117.0693	16.828	3	117.0693	16.828	3	119.1162	17.938	5	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:1:	C[5,5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]HH)(C[5]C[5]H){2|C<3>,3|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]C)(H){3|C<4>,4|H<1>}	124.0130	0.000	1	124.0130	0.000	1	124.0130	0.000	1	119.1162	17.938	5	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(COO)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{6|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])(COO){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	122.7260	0.000	1	122.7260	0.000	1	120.0190	14.656	2	120.0190	14.656	2	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:3:3:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:C-3:	N[5,6](C[5,6]C[6,6a]O[5]C)(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H)	N[5,6](C[5,6]C[6,6a]O[5]C)(C[6]C[6]HH)(C[5]C[5]C){1|O<1>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<2>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	117.3120	0.000	1	117.3120	0.000	1	120.0190	14.656	2	120.0190	14.656	2	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,3x6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,3x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,3x6]HH)(O)	N[5,6](C[5,3x6]C[5,3x6]C[6,6]2)(C[6]C[6]HH)(C[5]C[5]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,3x6]C[5])(C[6]C[6,6]HH)(H)2{1|C<3>,1|O<1>,4|C<4>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,3x6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.0215	0.398	6	120.0215	0.159	6	120.0215	0.159	6	120.4435	2.387	8	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O)	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,1|N<3>,2|C<4>,7|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(O){1|C<3>,3|C<4>,3|H<1>}	119.2970	0.000	1	119.2970	0.000	1	119.2970	0.000	1	120.4435	2.387	8	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:1:1:	3:4:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6]HH)(C[5]C[5]O){1|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O){1|C<4>,1|O<2>,5|H<1>}	124.1220	0.000	1	124.1220	0.000	1	124.1220	0.000	1	120.4435	2.387	8	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-3:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[3,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[3,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	119.3890	0.000	1	119.3890	0.000	1	119.4050	0.001	2	120.1483	1.658	3	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-3:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(C[5]O[5]O){1|C<4>,1|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){1|C<3>,2|C<4>,4|H<1>}	119.4210	0.000	1	119.4210	0.000	1	119.4050	0.001	2	120.1483	1.658	3	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:3:1:	3:2:1:	C[5,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:N-3:H-1:	N[5,6]-3:O[5]-2:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]O[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HN)(C[5]O[5]O){1|C<4>,2|O<2>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(NCH)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(O){1|N<3>,2|C<4>,4|H<1>}	121.6350	0.000	1	121.6350	0.000	1	121.6350	0.000	1	120.1483	1.658	3	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5,6]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:	C[5,6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:O-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6]C[6]CH)(C[5]C[5]O){3|C<4>,9|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CCHH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(O){3|H<1>,4|C<4>}	124.9030	0.000	1	124.9030	0.000	1	124.9030	0.000	1	124.9030	0.000	1	121.7374	6.231	78	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5]	C[6]	C[5]	3:4:4:	4:4:3:1:	3:3:3:	C[5]-3:C[5]-4:C[6]-4:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt)	N[5](C[5]C[6a]N[5])(C[5]C[5]HH)(C[6]C[6]2H){1|Pt<4>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|C<3>,1|N<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(N[5]C[5]Pt){2|C<4>,3|C<3>,5|H<1>}	125.8110	0.000	1	125.8110	0.000	1	125.8110	0.000	1	125.8110	0.000	1	120.7083	10.042	7	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5]	C[6]	C[5]	4:3:3:	3:4:4:1:	3:3:3:	C[6]-4:B[5]-3:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:N[5]-3:N-3:	N[5](C[6]C[6]2H)(B[5]B[5]N)(C[5]N[5]N)	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]B[5]C[6])2(NCC)	N[5](C[6]C[6]2H)(B[5]B[5]N)(C[5]N[5]N){2|Cl<1>,3|C<4>,4|H<1>}	C[6](N[5]B[5]C[5])(C[6]C[6]HH)2(H){1|B<4>,1|C<4>,3|N<3>,4|H<1>}	C[5](N[5]B[5]C[6])2(NCC){2|Cl<1>,1|N<3>,2|H<1>,4|C<4>}	116.6480	0.000	1	116.6480	0.000	1	116.6480	0.000	1	116.6480	0.000	1	120.7083	10.042	7	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	3:4:4:1:	3:3:1:	Ga[4,5]-4:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5]-3:H-1:	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H)	C[6](N[5]Ga[4,5]C[5])(C[6]C[6]HH)2(H)	C[5](N[5]Ga[4,5]C[6])(C[5]N[4,5]H)(H)	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H){1|Ga<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](N[5]Ga[4,5]C[5])(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,1|C<4>,2|N<4>,5|H<1>}	C[5](N[5]Ga[4,5]C[6])(C[5]N[4,5]H)(H){1|Cl<1>,1|Ga<4>,1|H<1>,1|N<4>,3|C<4>}	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	120.7083	10.042	7	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:2:1:	3:2:1:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:N[5]-3:O[6]-2:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]O[5]O)	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]O[6]H)(C[5]O[5]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]BrH)(N[5]C[5]2)(O[6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	123.4760	0.000	1	123.4760	0.000	1	123.4760	0.000	1	123.4760	0.000	1	120.7083	10.042	7	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:3:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]O)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){1|C<4>,2|C<3>,4|H<1>}	118.8170	0.000	1	118.8170	0.000	1	118.8170	0.000	1	118.8170	0.000	1	120.7083	10.042	7	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:2:1:	C[6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:O-1:	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])(O[5]C[5])(O)	N[5](C[6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(O[5]C[5])(O){2|C<3>,2|C<4>,3|H<1>}	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	121.2520	0.000	1	120.7083	10.042	7	121.5380	6.699	88
542	466	818	0:SP3_SP2_SP3	N[5]	C[6]	C[5]	4:4:3:	4:4:3:1:	3:3:2:	C[5]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:N-2:	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N)	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H)	C[5](N[5]C[5]C[6])2(NTi)	N[5](C[5]C[5]HH)(C[6]C[6]2H)(C[5]N[5]N){3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)2(N[5]C[5]2)(H){1|N<2>,1|N<3>,2|C<4>,6|H<1>}	C[5](N[5]C[5]C[6])2(NTi){4|C<4>,6|H<1>}	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	120.7350	0.000	1	120.7083	10.042	7	121.5380	6.699	88
542	466	818	6:SP2_SP2_SP3	N[5,6,6]	C[6,6]	C[5,6]	4:3:4:	3:4:4:1:	3:3:3:	C[5,6]-4:C[5,6]-3:C[6,6]-4:	N[5,6,6]-3:C[6]-4:C[6]-4:H-1:	N[5,6,6]-3:N[5]-3:N[6]-3:	N[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]N[5]N[6])(C[6,6]C[6]2H)	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(N[6]C[6]H)	N[5,6,6](C[5,6]C[5]C[6]H)(C[5,6]N[5]N[6])(C[6,6]C[6]2H){3|C<4>,9|H<1>}	C[6,6](N[5,6,6]C[5,6]2)(C[6]C[6]HH)2(H){1|O<2>,2|N<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(N[5]C[5]H)(N[6]C[6]H){4|C<4>,5|H<1>}	124.6420	0.000	1	124.6420	0.000	1	124.6420	0.000	1	124.6420	0.000	1	124.6420	0.000	1	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[3x6]	C[5,6]	3:3:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[3x6]-4:N[5,6]-3:C[3x6]-4:H-1:	N[5,6]-3:C[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|N<3>,8|C<3>}	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	112.4400	0.000	2	112.4400	0.000	2	112.4400	0.000	2	112.4400	0.000	2	112.4400	0.000	2	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6,6]	C[5,6]	4:3:3:	3:4:4:1:	3:4:3:	C[6,6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:N[5]-3:	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5])	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C)	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[6a]C[5]){1|N<3>,3|C<3>,3|C<4>,5|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]N[6]H)(C[6]C[6]HH)(H){1|N<3>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6]N[6]H)(N[5]C[5]C){2|C<4>,3|C<3>,3|H<1>}	123.0925	1.602	2	123.0925	2.565	2	123.0925	2.565	2	123.0925	2.565	2	121.2794	10.251	9	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6,6]	C[5,6]	4:3:4:	3:2:4:1:	3:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:O[6,6]-2:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]O[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(O[6,6]C[6,6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,2|C<4>,6|H<1>}	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	123.5540	0.000	1	121.2794	10.251	9	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6,6]	C[5,6]	4:3:4:	3:3:4:1:	3:2:2:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:N[6]-2:S[5]-2:	N[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[6]S[5])(C[5]C[5]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(N[6]C[6,6])(S[5]C[5])	N[5,6](C[6,6]C[6,6a]C[6,6]H)(C[5,6]N[6]S[5])(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(H){1|N<2>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(N[6]C[6,6])(S[5]C[5]){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	121.2794	10.251	9	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6,6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:N[6,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){2|N<3>,3|C<4>,4|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[6,6]N)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	123.2795	0.089	2	121.2794	10.251	9	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6,6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	N[6,6]-3:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6,6](N[6,6]C[6,6]C[6a])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|N<3>,2|C<4>,6|H<1>}	123.0680	0.000	1	123.0680	0.000	1	123.0680	0.000	1	123.2795	0.089	2	121.2794	10.251	9	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6,6]	C[5,6]	4:3:4:	3:4:2:1:	3:3:3:	C[6,6]-4:C[5,6]-3:S[5]-4:	N[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H)	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<1>,3|H<1>,6|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6,6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	118.0295	1.733	2	118.0295	3.004	2	118.0295	3.004	2	118.0295	3.004	2	121.2794	10.251	9	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6,6]	C[5,6]	4:3:4:	3:4:4:2:	3:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[6,6]-4:C[6]-4:O-2:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C)	N[5,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,6|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6,6]HH)(C[6]C[6]HH)(OH){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[6,6]N)(N[5]C[5]C){1|O<2>,3|C<4>,5|H<1>}	123.4320	0.000	1	123.4320	0.000	1	123.4320	0.000	1	123.4320	0.000	1	121.2794	10.251	9	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5,6]-3:As[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-3:N[5,6]-3:N[5,6]-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5])	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(As[5]N[5,6]Cl)(C[6]C[6]HH){1|N<3>,1|P<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,5,6]As[5])(C[6]C[6]HH)(H)2{1|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5]){1|Cl<1>,1|N<3>,3|C<4>,4|H<1>}	116.2975	0.281	2	116.2975	0.079	2	116.2975	0.079	2	117.3070	1.400	4	117.3070	1.400	4	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,5,6]-3:P[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-3:N[5,6]-3:N[5,6]-3:	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH)	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5])	N[5,6](C[5,5,6]C[5,5,6]N[5,6])(P[5]N[5,6]N)(C[6]C[6]HH){1|As<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[5,5,6](C[5,5,6]N[5,6]2)(N[5,6]As[5]C[6])(N[5,6]C[6]P[5]){1|Cl<1>,1|N<3>,3|C<4>,4|H<1>}	118.3165	0.214	2	118.3165	0.046	2	118.3165	0.046	2	117.3070	1.400	4	117.3070	1.400	4	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[6,6]-3:	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]C)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]C)(C[6]C[6]HH){1|C<2>,1|C<3>,1|N<3>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|C<2>,2|H<1>,3|N<3>}	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2){2|C<2>,2|C<4>,2|N<3>,8|H<1>}	120.4365	1.108	4	120.4365	1.228	4	120.4783	1.207	12	120.4783	1.207	12	120.9058	3.484	13	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[6,6]-3:	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]N)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]N)(C[6]C[6]HH){1|C<3>,2|H<1>,2|N<3>,4|C<4>}	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,2|H<1>,4|N<3>}	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2){2|C<4>,4|N<3>,8|H<1>}	120.7565	0.337	4	120.7565	0.113	4	120.4783	1.207	12	120.4783	1.207	12	120.9058	3.484	13	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6,6]-3:B[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:N[6,6]-3:	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2)	N[5,6](C[5,6,6]N[5,6]N[6,6])(B[5,5]B[5,5]N[5,6]O)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<2>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6,6]B[5,5])(C[6]C[6]HH)(H)2{1|B<4>,1|O<2>,2|H<1>,3|N<3>}	C[5,6,6](N[5,6]B[5,5]C[6])2(N[6,6]C[6]2){2|C<4>,2|N<3>,2|O<2>,8|H<1>}	120.2417	1.705	4	120.2417	2.906	4	120.4783	1.207	12	120.4783	1.207	12	120.9058	3.484	13	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6,6]	3:4:4:	3:4:4:2:	3:3:4:	C[5,6,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:O-2:	N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H)	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H){2|O<2>,4|C<4>,8|H<1>}	126.0370	0.000	1	126.0370	0.000	1	126.0370	0.000	1	126.0370	0.000	1	120.9058	3.484	13	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:2:1:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:S[6]-2:H-1:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(S[6]C[6])(H)2	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[5]N[6])(C[6]S[6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(S[6]C[6])(H)2{1|N<2>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]C)(N[6]C[6]){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	122.2100	0.000	1	122.2100	0.000	1	122.2100	0.000	1	122.2100	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:1:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6,6]-3:H-1:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6,6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(H)2{1|C<4>,1|N<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6,6]){2|H<1>,4|C<3>}	121.2870	0.000	1	121.2870	0.000	1	121.2870	0.000	1	121.2870	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:1:	3:4:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]N[5])(C[6]C[5,6]HH){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[5,6]N[5,6]N[5])(H)2{1|N<3>,2|C<4>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[6]N[5,6]HH)(N[5]C[5,6a]C){2|H<1>,4|C<3>}	126.2140	0.000	1	126.2140	0.000	1	126.2140	0.000	1	126.2140	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:1:1:	4:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5]-4:N[5,6]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(H)2{1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[5]C[5,6a]C[6a]O)(N[5,6]C[5,6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	123.9510	0.000	1	123.9510	0.000	1	123.9510	0.000	1	123.9510	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:1:	3:3:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	N[5,6]-3:C[5]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H)	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(N[6]C[6,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]N[6])(C[6]C[6,6a]CH){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCH)(H){1|H<1>,1|N<2>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(N[6]C[6,6a]){1|H<1>,5|C<3>}	123.6285	0.787	2	123.6285	0.619	2	123.6285	0.619	2	123.6285	0.619	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[5a]-3:N[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cd)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[5a]N[6]H){1|Cd<4>,1|O<2>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[5a]C[5a]O[5a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]Cd){1|N<3>,2|H<1>,5|C<3>}	122.0640	0.000	1	122.0640	0.000	1	122.0640	0.000	1	123.9605	2.387	4	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6a]-3:N[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){1|N<2>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(H){1|H<1>,1|N<3>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	123.3400	0.000	1	123.3400	0.000	1	123.3400	0.000	1	123.9605	2.387	4	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H)	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]H){3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,1|O<2>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|N<3>,2|H<1>,5|C<3>}	125.2190	0.110	2	125.2190	0.012	2	125.2190	0.012	2	123.9605	2.387	4	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:3:4:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6a]-3:N[6]-3:C-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C)	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]N[5])(C[6]C[6a]N[6]C){1|N<2>,3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(CH3){1|H<1>,1|N<3>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	119.9960	0.000	1	119.9960	0.000	1	119.9960	0.000	1	119.9960	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:4:1:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	N[5,6]-3:N[6]-2:S[5]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H)	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a])(S[5]C[5,6a])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6,6a]CH){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[5,6])(CCHH)(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6a])(S[5]C[5,6a]){1|C<4>,1|H<1>,4|C<3>}	120.8570	0.470	2	120.8570	0.220	2	120.8570	0.220	2	120.8570	0.220	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CCCH)(H){1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	122.8660	0.000	1	122.8660	0.000	1	122.1790	0.944	2	122.1790	0.944	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:3:4:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-3:C-4:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)(H){1|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]N[6]C){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	121.4920	0.000	1	121.4920	0.000	1	122.1790	0.944	2	122.1790	0.944	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6])	N[5,6](C[5,6]N[6]S[5])(C[5]C[5,5]O)(C[6]C[6]HH){2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<2>,1|O<1>,1|S<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6]){1|O<1>,3|C<4>,4|H<1>}	120.6450	0.000	1	120.6450	0.000	1	120.6450	0.000	1	120.1940	0.407	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,3|C<3>,3|H<1>}	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	120.1940	0.407	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:S[5]-2:C[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]S[5])(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|S<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	121.7430	0.000	1	121.7430	0.000	1	121.7430	0.000	1	122.7100	1.870	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:2:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:S[5]-2:N[6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HH){2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(H)2{1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	123.6770	0.000	1	123.6770	0.000	1	123.6770	0.000	1	122.7100	1.870	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:2:4:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:O[5]-2:C[6]-4:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5,6a]C[6])(O[5]C[5,6a])(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	124.3270	1.224	4	124.3270	1.497	4	124.3270	1.497	4	124.3270	1.497	4	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:Cl-1:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[5]C[5,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]ClH)(Cl)(H){1|Cl<1>,1|H<1>,1|O<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]C){2|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	121.6880	0.000	1	121.6880	0.000	1	121.6880	0.000	1	121.7990	2.977	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HO)(H)2{1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	122.6480	0.173	2	122.6480	0.030	2	122.6480	0.030	2	121.7990	2.977	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[5,6]O)(C[6]C[6]HH){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|O<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5,6]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	122.8330	0.000	1	122.8330	0.000	1	122.9460	0.026	2	121.7990	2.977	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C)	N[5,6](C[5,6]C[6,6a]C[5])(C[5]C[6a]N[5])(C[6]C[6]HH){1|C<4>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]N[5]C){1|C<4>,3|C<3>,4|H<1>}	123.0590	0.000	1	123.0590	0.000	1	122.9460	0.026	2	121.7990	2.977	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6]-3:P[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6]-3:N[6]-3:	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]N)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]Sb)	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]N)(C[6]C[6]HH){1|Sb<5>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|C<3>,2|H<1>,3|N<3>}	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]Sb){1|N<3>,3|C<4>,4|H<1>}	119.1465	0.773	2	119.1465	0.597	2	119.1465	0.597	2	121.7990	2.977	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N)	N[5,6](C[5,6a]N[5,6a]C[6a])(C[5,6]C[6,6a]C[5])(C[6]C[6]HH){1|N<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6,6a]HH)(H)2{1|N<3>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6a]C[6])(C[5]N[5,6a]N){1|C<4>,3|H<1>,4|C<3>}	123.2230	0.000	1	123.2230	0.000	1	123.2230	0.000	1	121.7990	2.977	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:1:1:	4:3:2:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5,6]-4:N[5,6]-3:N[6]-2:	N[5,6](C[5,6]C[5,5,6]N[6])(C[5]C[5,5,6]O)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(N[6]C[6])	N[5,6](C[5,6]C[5,5,6]N[6])(C[5]C[5,5,6]O)(C[6]C[6]HH){3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(N[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|C<4>,6|H<1>}	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	121.1820	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:2:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6]-3:C[5,6a]-3:N[5,6]-3:	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H)	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[6]C[6]HO){1|N<3>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(OC)(H){1|O<1>,4|C<3>}	C[5,6](C[5,6]C[5,6a]N[5,6])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6]){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	122.0505	0.483	2	122.0505	0.233	2	122.0505	0.233	2	122.0505	0.233	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:3:1:	3:2:2:	C[5,6a]-3:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:N-3:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]N[6]S[5])(C[6]C[6]HN){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]CH)(NCH)(H){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	122.5310	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:3:4:	3:4:4:1:	3:3:3:	C[5,6]-3:C[5]-3:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5,6])(C[5]N[5,6]Cl)(C[6]C[6]CH){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CCCH)(H){1|Cl<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Cl<1>,2|H<1>,3|C<4>,4|C<3>}	124.9955	0.695	2	124.9955	0.483	2	124.9955	0.483	2	124.9955	0.483	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:2:	3:3:4:1:	3:3:2:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6a]-3:N[5,6]-3:N[6]-2:	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](N[5,6a]C[5,6a]C[6a])(N[5,6]C[6]N[5])(N[6]C[6])	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,6](N[5,6a]C[5,6a]C[6a])(N[5,6]C[6]N[5])(N[6]C[6]){1|N<2>,2|C<4>,2|H<1>,3|C<3>}	122.4915	0.333	2	122.4915	0.111	2	122.4915	0.111	2	122.4915	0.111	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(S[6]C[6])	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]C[5]){1|O<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(S[6]C[6]){1|C<4>,5|H<1>}	128.3150	0.000	1	128.3150	0.000	1	127.4860	1.374	2	127.4860	1.374	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]N[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]C)(S[6]C[6])	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[5,6](N[5,6]C[6]N[5])(N[5]N[5]C)(S[6]C[6]){1|C<4>,4|H<1>}	126.6570	0.000	1	126.6570	0.000	1	127.4860	1.374	2	127.4860	1.374	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:2:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-4:C[5]-3:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]){1|C<3>,1|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(C[5]N[5]H){1|C<3>,1|C<4>,4|H<1>}	126.4365	0.705	2	126.4365	0.497	2	126.4365	0.497	2	126.4365	0.497	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:2:	3:4:3:1:	4:3:2:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:C-3:H-1:	C[5,6]-4:N[5,6]-3:C[5]-2:	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(N[5]N[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H)	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]N[5])(C[5]N[5])	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,2|H<1>,2|O<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[6]N[5])(C[5]N[5]){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	129.5820	0.000	1	129.5820	0.000	1	129.5820	0.000	1	129.5820	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:2:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:P[6]-2:N[5]-3:	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5,6](N[5,6]C[5]C[6])(P[6]C[5,6])(N[5]C[5]C)	N[5,6](C[5,6]N[5]P[6])(C[6]N[5,6]HH)(C[5]C[5]H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|P<2>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(P[6]C[5,6])(N[5]C[5]C){2|N<3>,4|H<1>}	122.0177	0.412	12	122.0177	0.170	12	122.0177	0.170	12	122.0177	0.170	12	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:C[6]-3:N[5,6]-3:	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]HH)(C[5]C[5,6a]O){5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|O<1>,3|H<1>,6|C<3>}	125.6850	0.000	1	125.6850	0.000	1	125.6850	0.000	1	124.9878	0.836	9	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:Ge[6]-3:N[5]-3:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Cl)(N[5]C[6a]C[5])	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Cl<1>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Cl)(N[5]C[6a]C[5]){2|C<3>,2|N<3>,4|H<1>}	124.2285	0.391	2	124.2285	0.153	2	124.5280	0.552	6	124.9878	0.836	9	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:Ge[6]-3:N[5]-3:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Ga)(N[5]C[6a]C[5])	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Ga)(N[5]C[6a]C[5]){2|C<3>,2|N<3>,4|H<1>}	123.9150	0.055	2	123.9150	0.003	2	124.5280	0.552	6	124.9878	0.836	9	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:Ge[6]-3:N[5]-3:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Se)(N[5]C[6a]C[5])	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<2>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]Se)(N[5]C[6a]C[5]){2|C<3>,2|N<3>,4|H<1>}	125.4405	0.078	2	125.4405	0.006	2	124.5280	0.552	6	124.9878	0.836	9	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:Ge[6]-3:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]C[5,6]N)	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|N<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<3>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]C[5,6]N){2|C<3>,2|N<3>,4|H<1>}	126.0185	0.220	2	126.0185	0.048	2	126.0185	0.048	2	124.9878	0.836	9	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[6]-3:N[5,6]-3:C[5]-4:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](C[6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[5]HH)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](C[6]C[6,6a]C[6])(N[5,6]C[5]C[6])(C[5]C[5]HH){1|O<1>,4|C<3>,4|H<1>}	123.2815	0.985	2	123.2815	0.970	2	123.2815	0.970	2	123.3493	0.499	3	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(C[5]C[5]HH)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]O){2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]H)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	123.4850	0.000	1	123.4850	0.000	1	123.4850	0.000	1	123.3493	0.499	3	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]O){2|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)2{1|O<1>,2|C<3>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	123.1505	17.352	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:Ge[6]-4:N[5]-3:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]SS)(N[5]C[6a]C[5])	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(Ge[6]C[5,6]SS)(N[5]C[6a]C[5]){2|C<3>,2|N<3>,4|H<1>}	126.0960	0.000	1	126.0960	0.000	1	126.0960	0.000	1	123.1505	17.352	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	B[6]-4:N[5,6]-3:N[5]-3:	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6,6a]HH)(C[5]C[5]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|B<4>,1|N<3>,2|H<1>,3|C<3>}	C[5,6](B[6]C[6,6a]N[6]H)(N[5,6]C[5]C[6])(N[5]C[5]C){4|C<3>,4|H<1>}	125.2710	0.000	1	125.2710	0.000	1	125.2710	0.000	1	125.8975	0.785	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:1:1:	4:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:N[5,6]-3:H-1:H-1:	Ge[6]-4:N[5,6]-3:N[5]-3:	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])2(H)2	C[5,6](Ge[6]C[5,6]Se2)(N[5,6]C[5]C[6])(N[5]C[6a]C[5])	N[5,6](C[5,6]Ge[6]N[5])(C[6]N[5,6]HH)(C[5]C[5]H){1|Se<1>,1|Se<2>,1|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])2(H)2{1|Ge<4>,2|C<3>,2|H<1>,2|N<3>}	C[5,6](Ge[6]C[5,6]Se2)(N[5,6]C[5]C[6])(N[5]C[6a]C[5]){2|C<3>,2|N<3>,4|H<1>}	126.5240	0.000	1	126.5240	0.000	1	126.5240	0.000	1	125.8975	0.785	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:2:2:	C[5,6]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5,6]C[6])(S[5]C[5,6])(N[6]C[6])	N[5,6](C[5,6]C[5,6]C[6])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|O<1>,6|C<3>}	C[6](N[5,6]C[5,6]2)(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|S<2>,2|H<1>,4|C<3>}	C[5,6](N[5,6]C[5,6]C[6])(S[5]C[5,6])(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	119.4270	0.000	1	119.4270	0.000	1	119.4270	0.000	1	120.5210	2.394	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:2:2:	C[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[6]S[5]){1|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|S<2>,4|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(S[5]C[5,6a])(N[6]C[6]){1|C<4>,1|H<1>,4|C<3>}	121.6150	0.000	1	121.6150	0.000	1	121.6150	0.000	1	120.5210	2.394	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:2:	C[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[5,6]-3:N[6]-3:N[5]-2:	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6]H)(N[5]N[5,6a])	N[5,6](C[5,6a]N[5,6a]N[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|H<1>,6|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<2>,2|N<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[6]C[6,6]H)(N[5]N[5,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	125.9520	0.000	1	125.9520	0.000	1	125.9520	0.000	1	127.0847	1.332	3	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:2:	C[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(N[6]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(C[5,6]N[5]N[6]){3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6a]C[6a]2)(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,5|C<3>}	C[5,6](N[5,6]C[5,6a]C[6])(N[5]C[5,6a]H)(N[6]C[6]){1|H<1>,5|C<3>}	127.0430	0.000	1	127.0430	0.000	1	127.0430	0.000	1	127.0847	1.332	3	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:2:	N[5,6a]-3:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6,6]-3:C[6a]-3:H-1:	N[5,6]-3:N[6]-3:N[5]-2:	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6])	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](N[5,6]N[5,6a]C[6])(N[6]C[6,6]H)(N[5]C[5,6a])	N[5,6](N[5,6a]C[5,6a]C[6a])(C[6]C[6,6]C[6a]H)(C[5,6]N[5]N[6]){1|N<2>,2|H<1>,5|C<3>}	C[6](N[5,6]N[5,6a]C[5,6])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](N[5,6]N[5,6a]C[6])(N[6]C[6,6]H)(N[5]C[5,6a]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	128.2590	0.000	1	128.2590	0.000	1	128.2590	0.000	1	127.0847	1.332	3	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C){1|O<1>,2|H<1>,5|C<3>}	119.6870	0.000	1	119.6870	0.000	1	119.6870	0.000	1	122.2305	12.939	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:N[5]-3:	N[5,6]-3:C[6]-3:C[6a]-3:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H)	N[5,6](C[5,6]C[6,6a]C[5])(C[6]C[6a]C[6]H)(N[5]C[5]H){2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6,6a]C)(C[6a]C[6a]2)(H){3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6]N[5])(C[5]C[5]H){4|C<3>,4|H<1>}	124.7740	0.000	1	124.7740	0.000	1	124.7740	0.000	1	122.2305	12.939	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:4:4:	3:4:2:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-3:C-4:C-4:	N[5,6]-3:C[6]-4:N[5]-2:	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]CC)(N[5]C[5])	N[5,6](C[5,6]C[6]N[5])(C[6]C[6]CC)(C[5]C[5]O){1|N<3>,1|O<1>,4|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(CH3)2{1|H<1>,1|N<2>,1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]CC)(N[5]C[5]){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	127.0760	0.000	1	127.0760	0.000	1	127.0760	0.000	1	127.0760	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:Ge[6]-2:	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(Ge[6]N[6])	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<4>,1|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(Ge[6]N[6]){2|C<4>,4|H<1>}	125.4790	0.000	1	125.4790	0.000	1	124.8470	0.799	2	125.6180	0.585	6	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:Ge[6]-2:	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6])	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6]){2|C<3>,2|C<4>,4|H<1>}	124.2150	0.000	1	124.2150	0.000	1	124.8470	0.799	2	125.6180	0.585	6	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(S[6]C[6])	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]C[5]H){1|O<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(S[6]C[6]){1|C<4>,6|H<1>}	126.1590	0.163	3	126.1590	0.026	3	126.0035	0.114	4	125.6180	0.585	6	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:S[6]-2:	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]N[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]N[5]C)(S[6]C[6])	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(C[5]N[5]H){2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<2>,1|N<3>,1|S<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[5]N[5]C)(S[6]C[6]){1|C<4>,5|H<1>}	125.5370	0.000	1	125.5370	0.000	1	126.0035	0.114	4	125.6180	0.585	6	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Cu)	N[5,6](C[5,6]C[5,6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cu<3>,2|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Cu){1|Cu<3>,1|C<4>,2|C<3>,4|H<1>}	122.7569	0.245	9	122.7569	0.060	9	122.7569	0.060	9	123.4763	1.206	15	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5a,6]-3:N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H)	N[5,6](C[5,6]C[5a,6]C[5])(C[6]C[6]HH)(C[5]C[5]O){1|N<3>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[5a,6]HH)(H)2{1|O<1>,4|C<3>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	123.5060	0.280	2	123.5060	0.078	2	123.5060	0.078	2	123.4763	1.206	15	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:N[6]-3:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(N[6]C[6]H)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6]HH)(C[5]C[5]O){1|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]C)(N[6]C[6]H){1|O<1>,2|C<4>,5|H<1>}	124.1140	0.000	1	124.1140	0.000	1	124.1140	0.000	1	123.4763	1.206	15	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:Ge[6]-3:	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6]Cl)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|Cl<1>,1|C<3>,1|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6]Cl){1|C<4>,3|C<3>,4|H<1>}	125.4155	0.364	2	125.4155	0.133	2	125.4020	0.067	3	123.4763	1.206	15	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:Ge[6]-3:	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6]O)	N[5,6](C[5,6]Ge[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ge[6]N[6]O){1|C<4>,3|C<3>,4|H<1>}	125.3750	0.000	1	125.3750	0.000	1	125.4020	0.067	3	123.4763	1.206	15	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:B[6]-4:	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]O[6]H)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]O[6]CC)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]C){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]O[6]H)(H)2{1|B<4>,1|C<4>,1|N<3>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]O[6]CC){2|C<3>,2|H<1>,3|C<4>}	122.7250	0.000	1	122.7250	0.000	1	122.3470	0.286	2	122.3470	0.286	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:B[6]-4:	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]N[6]HH)	N[5,6](C[5,6]B[6]N[5])(C[6]C[6]HH)(C[5]C[5]H){1|C<3>,1|N<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(B[6]N[6]HH){2|C<3>,2|C<4>,5|H<1>}	121.9690	0.000	1	121.9690	0.000	1	122.3470	0.286	2	122.3470	0.286	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	3:4:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:B[6]-4:C[5]-3:	N[5,6](C[5,6]B[6]C[5])(C[6]C[6]HH)(C[5]N[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2	C[5,6](N[5,6]C[5]C[6])(B[6]O[6]CC)(C[5]N[5]H)	N[5,6](C[5,6]B[6]C[5])(C[6]C[6]HH)(C[5]N[5]H){1|O<2>,2|H<1>,4|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]CH)(H)2{1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[5,6](N[5,6]C[5]C[6])(B[6]O[6]CC)(C[5]N[5]H){2|C<4>,3|H<1>}	123.1260	0.000	1	123.1260	0.000	1	123.1260	0.000	1	123.1260	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:1:1:	4:3:4:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5]-4:N[5,6]-3:C[6]-4:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](C[5]C[6a]C[5]Pt)(N[5,6]C[5]C[6])(C[6]C[6]CC)	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(C[5]C[5]C){1|Pt<5>,1|C<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5]C[6a]C[5]Pt)(N[5,6]C[5]C[6])(C[6]C[6]CC){1|C<4>,3|C<3>,4|H<1>}	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	C[5,6]-3:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6]C[6,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]N[5,6]Rh)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H)	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[6,6a]C[5,6])(C[6]C[6a]C[6]H)(C[5]N[5,6]Rh){1|C<4>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(C[6a]C[6a]2)(H){1|Rh<6>,1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]N[5,6])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){1|Rh<6>,2|C<4>,2|H<1>,5|C<3>}	122.2485	1.415	4	122.2485	2.001	4	122.2485	2.001	4	122.2485	2.001	4	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:4:4:1:	3:3:2:	C[5,6]-3:C[6]-4:C[5]-3:	N[5,6]-3:C[6]-4:C-4:H-1:	C[6,6a]-3:N[5,6]-3:N[5]-2:	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5])	N[5,6](C[5,6]C[6,6a]N[5])(C[6]C[6]CH)(C[5]N[5]H){2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(CC[6a]2O)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]N[5]){2|C<4>,3|C<3>,3|H<1>}	124.3570	0.000	1	124.3570	0.000	1	124.3570	0.000	1	124.3570	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:2:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[6]-2:C[5]-4:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CC)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CC){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<2>,2|C<4>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH){4|C<3>,4|H<1>}	123.7820	0.000	1	123.7820	0.000	1	123.1913	1.256	3	123.1913	1.256	3	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:2:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[6]-2:C[5]-4:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]CH){2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]HH){3|C<3>,5|H<1>}	121.8990	0.000	1	121.8990	0.000	1	123.1913	1.256	3	123.1913	1.256	3	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:2:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[6]-2:C[5]-4:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]CH)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(C[5]C[5]CH){2|C<3>,6|H<1>}	123.8930	0.000	1	123.8930	0.000	1	123.1913	1.256	3	123.1913	1.256	3	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:3:2:	C[5,6]-3:C[6]-4:S[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:N[6]-2:	N[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6a]HH)(S[5]C[5,6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(N[6]C[6,6a])	N[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6a]HH)(S[5]C[5,6a]OO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2{1|H<1>,1|N<2>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(N[6]C[6,6a]){2|O<1>,3|H<1>,4|C<3>}	121.9540	0.000	1	121.9540	0.000	1	121.9540	0.000	1	121.9540	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:N[6]-3:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH)	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]N[6]HH){1|N<3>,2|H<1>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(N[6]C[6]C)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|N<3>,8|H<1>}	120.9010	0.665	2	120.9010	0.442	2	120.9010	0.442	2	120.9010	0.442	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:3:4:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HO)	N[5,6](C[5,6]C[5]N[6])(C[6]C[6,6a]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HO){2|C<3>,6|H<1>}	124.7790	0.000	1	124.7790	0.000	1	124.7790	0.000	1	124.7790	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:4:2:	C[5,6]-3:C[6]-4:C[5]-4:	C[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[6]-4:O[5]-2:	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH)	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5])	N[5,6](C[5,6]C[6]O[5])(C[6]C[5,6]HH)(C[5]Si[5]HH){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]N[5,6]O[5])(N[5,6]C[5,6]C[5])(H)2{2|Si<4>,1|O<2>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]HH)(O[5]Si[5]){1|C<3>,3|C<4>,4|H<1>}	124.6920	0.086	2	124.6920	0.007	2	124.6920	0.007	2	124.6920	0.007	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:4:1:	3:2:2:	C[5,6]-3:C[6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C-4:H-1:	N[5,6]-3:N[6]-2:S[5]-2:	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(S[5]C[5])	N[5,6](C[5,6]N[6]S[5])(C[6]C[6,6a]CH)(C[5]C[5]HH){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CCHH)(H){1|N<2>,1|S<2>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a])(S[5]C[5]){1|C<4>,3|C<3>,3|H<1>}	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:2:	C[5,6]-3:P[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6]-3:N[6]-2:	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]CoN)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6])	N[5,6](C[5,6]C[5,6]N[6])(P[5]N[5,6]CoN)(C[6]C[6]HH){1|N<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|Co<7>,1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[5,6](C[5,6]N[5,6]N[6])(N[5,6]C[6]P[5])(N[6]C[6]){1|Co<7>,1|N<3>,3|C<4>,4|H<1>}	120.0760	0.767	2	120.0760	0.588	2	120.0760	0.588	2	120.0760	0.588	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-3:N[5,6]-3:N[5]-3:	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Fe)	N[5,6](C[5,6]C[5,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|Fe<6>,2|N<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]N[5,6]N[5])(N[5,6]C[5]C[6])(N[5]C[5]Fe){3|C<4>,6|H<1>}	119.9593	1.148	3	119.9593	1.317	3	119.9593	1.317	3	120.5662	2.351	4	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]H)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|O<1>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]H){1|C<4>,7|H<1>}	122.3870	0.000	1	122.3870	0.000	1	122.3870	0.000	1	120.5662	2.351	4	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:Ga[6]-4:	N[5,6](C[5,6]Ga[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ga[6]O[6]CC)	N[5,6](C[5,6]Ga[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]O[6]HH)(H)2{1|Ga<4>,1|C<4>,1|N<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ga[6]O[6]CC){1|C<4>,2|C<3>,6|H<1>}	126.5910	0.000	1	126.5910	0.000	1	126.5910	0.000	1	125.3840	2.914	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:3:4:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]B[5a]C[6])(C[5]C[5]HH)	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|B<4>,1|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]B[5a]C[6])(C[5]C[5]HH){1|B<4>,1|C<4>,2|O<2>,8|H<1>}	124.1770	0.000	1	124.1770	0.000	1	124.1770	0.000	1	125.3840	2.914	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:C[6]-3:	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C)	N[5,6](C[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]C){2|C<4>,7|H<1>}	123.3610	0.000	1	123.3610	0.000	1	123.3610	0.000	1	123.2964	1.914	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C)	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(N[6]C[6]C){1|C<4>,8|H<1>}	122.7680	1.051	2	122.7680	1.104	2	123.2871	2.232	7	123.2964	1.914	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C)	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]C){1|C<4>,8|H<1>}	124.8805	0.480	2	124.8805	0.231	2	123.2871	2.232	7	123.2964	1.914	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,7|H<1>}	120.8180	0.000	1	121.9415	2.525	2	123.2871	2.232	7	123.2964	1.914	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H)	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,7|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(N[6]C[6]H){1|C<4>,8|H<1>}	123.0650	0.000	1	121.9415	2.525	2	123.2871	2.232	7	123.2964	1.914	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	3:4:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:N[6]-3:	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HP)(N[6]C[6]H)	N[5,6](C[5,6]C[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|P<3>,6|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HP)(N[6]C[6]H){1|C<4>,8|H<1>}	123.8300	0.000	1	123.8300	0.000	1	123.2871	2.232	7	123.2964	1.914	8	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:1:1:	4:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[3x5,6]-4:C[6,6a]-3:N[5,6]-3:	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])	N[5,6](C[5,6]C[3x5,6]C[6,6a])(C[5]C[5,5,6]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6]){3|C<3>,4|C<4>,6|H<1>}	122.4680	0.000	1	122.4680	0.000	1	122.4680	0.000	1	122.4680	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:2:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OC)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<4>,1|O<2>,7|H<1>}	122.8070	0.000	1	122.8070	0.000	1	122.4070	0.320	2	120.3790	5.590	4	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:2:1:	3:3:3:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C)	N[5,6](C[5,6]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HO){1|N<3>,2|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]C){1|C<4>,1|O<2>,7|H<1>}	122.0070	0.000	1	122.0070	0.000	1	122.4070	0.320	2	120.3790	5.590	4	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:2:1:	3:3:3:	C[5,6]-3:S[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	118.3510	0.000	2	118.3510	0.000	2	118.3510	0.000	2	120.3790	5.590	4	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:4:1:	4:3:2:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6]-4:N[5,6]-3:N[6]-2:	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H)	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[6]C[6])	N[5,6](C[5,6]C[5,6]N[6])(C[5]C[5,6]HH)(C[6]C[6]CH){3|C<4>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]HH)(CHHO)(H){1|N<2>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[6]C[6]){4|C<4>,8|H<1>}	123.1070	0.000	1	123.1070	0.000	1	123.1070	0.000	1	123.1070	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:2:	3:3:4:1:	3:3:3:	C[6]-4:C[5,6]-3:N[5]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:N[5]-3:N[6]-3:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	C[5,6](N[5,6]C[6]N[5])(N[5]C[5]C)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	124.8170	0.000	1	124.8170	0.000	1	124.8170	0.000	1	124.8170	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:2:2:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[5a]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-2:S[5]-2:	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5])	N[5,6](C[6]C[5a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|S<2>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<4>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5]){1|H<1>,2|C<4>,3|C<3>}	116.9050	0.000	1	116.9050	0.000	1	116.9050	0.000	1	120.7892	2.550	10	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:2:2:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-2:S[5]-2:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5])	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){1|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	118.9850	0.000	1	118.9850	0.000	1	120.2160	3.031	2	120.7892	2.550	10	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:2:2:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-2:S[5]-2:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5])	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]N){1|C<2>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|C<4>,1|S<2>,2|H<1>,2|N<2>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6])(S[5]C[5]){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.4470	0.000	1	121.4470	0.000	1	120.2160	3.031	2	120.7892	2.550	10	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:2:2:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6])	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){2|C<4>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	120.9890	0.000	1	121.5079	0.094	7	121.5079	0.094	7	120.7892	2.550	10	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:2:2:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:S[5]-2:N[6]-2:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6])	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5,5]O){3|C<3>,3|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<2>,1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(S[5]C[5,5])(N[6]C[6]){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	121.5943	0.223	6	121.5079	0.094	7	121.5079	0.094	7	120.7892	2.550	10	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:3:	3:3:3:1:	3:3:2:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:N[6]-3:S[5]-2:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6]H)(S[5]C[5])	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[6]S[5])(C[5]C[5]C){2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)(H){1|N<3>,1|S<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6]H)(S[5]C[5]){2|C<3>,2|C<4>,2|H<1>}	123.9710	0.000	1	123.9710	0.000	1	123.9710	0.000	1	123.9710	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:3:	3:3:4:1:	3:4:2:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-4:N[5]-2:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5])	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]H){1|O<2>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]O[6]HH)(N[5]N[5]){1|C<4>,2|C<3>,2|H<1>}	124.2545	0.743	2	124.2545	0.552	2	124.2545	0.552	2	124.2545	0.552	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:3:	3:4:3:1:	3:4:2:	C[6]-4:C[5,6]-3:C[5]-3:	N[5,6]-3:C[6]-4:C[6a]-3:H-1:	N[5,6]-3:C[6]-4:N[5]-2:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(N[5]N[5])	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]N[5]N){1|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]N[6]H)(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|S<4>,2|H<1>,2|N<2>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(N[5]N[5]){1|C<4>,1|H<1>,1|N<2>,1|S<4>,2|C<3>}	122.4835	0.852	2	122.4835	0.726	2	122.4835	0.726	2	122.4835	0.726	2	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:3:1:1:	3:3:4:	C[5]-4:C[5,6]-3:C[6]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)	N[5,6](C[5]C[5a]C[5]C)(C[5,6]C[5]N[6])(C[6]C[6,6a]HH){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(H)2{1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	125.0560	0.000	1	125.0560	0.000	1	125.0560	0.000	1	125.0560	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:3:3:1:	3:3:3:	C[6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){2|C<3>,6|H<1>}	124.2640	0.000	1	124.2640	0.000	1	124.2640	0.000	1	124.2640	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[5a]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[5a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[5a]C[5a]O[5a])(C[6]C[6]HN)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<3>,1|C<4>,7|H<1>}	123.8170	0.000	1	123.8170	0.000	1	123.8170	0.000	1	123.8170	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP2_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:2:	3:3:3:	C[6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	120.5380	0.000	1	120.5380	0.000	1	120.5380	0.000	1	120.5380	0.000	1	123.1139	4.623	162	122.6518	6.791	191
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[3x6]	C[5,6]	3:3:4:	4:3:4:1:	3:3:3:	C[5,6a]-3:C[5,6]-3:C[3x6]-4:	C[3x6]-4:N[5,6]-3:C[3x6]-4:H-1:	N[5,6]-3:C[5,6]-3:N[5]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H)	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H)	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]N[5])(C[3x6]C[3x6]2H){2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[3x6](C[3x6]C[3x6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[3x6]C[6,6,6a]2H)(H){1|H<1>,1|N<3>,8|C<3>}	C[5,6](N[5,6]C[5,6a]C[3x6])(C[5,6]N[5,6]N[5])(N[5]C[5,6a]C){1|H<1>,3|C<4>,4|C<3>}	110.0003	0.930	6	110.0003	0.865	6	110.0003	0.865	6	110.0003	0.865	6	110.0003	0.865	6	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6,6]	C[5,6]	4:3:4:	3:3:3:1:	3:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	N[5,6]-3:N[5,6]-3:N[5]-3:	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH)	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[5,6](N[5,6]C[5,6]C[5])(N[5,6]C[6,6]C[5])(N[5]C[5]C)	N[5,6](C[6,6]N[6,6]C[6]H)(C[5,6]N[5,6]N[5])(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(N[6,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(N[5,6]C[6,6]C[5])(N[5]C[5]C){1|C<3>,1|C<4>,1|N<2>,1|N<3>,7|H<1>}	117.0820	0.000	1	117.0820	0.000	1	117.0820	0.000	1	117.0820	0.000	1	118.0627	1.079	3	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6,6]	C[5,6]	4:3:4:	3:3:3:2:	3:3:2:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[6,6a]-3:C[6,6a]-3:N[5,6]-3:N[6]-2:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6])	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[5]C)(N[6]C[6])	N[5,6](C[6,6]C[6,6a]2N[6])(C[5,6]N[5]N[6])(C[5]C[5]HH){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])2(N[5,6]C[5,6]C[5])(N[6]C[6]){1|C<4>,1|N<2>,3|N<3>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(N[5]C[5]C)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	117.9550	0.000	1	117.9550	0.000	1	117.9550	0.000	1	117.9550	0.000	1	118.0627	1.079	3	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6,6]	C[5,6]	4:3:4:	4:3:4:2:	3:3:3:	C[6,6]-4:C[5,6]-3:C[5]-4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:O-2:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6]N)(N[5]C[5]H)	N[5,6](C[6,6]C[5,6,6]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,4|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5,6]C[5])(C[6]C[6]HH)(OH){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6]N)(N[5]C[5]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	119.1510	0.000	1	119.1510	0.000	1	119.1510	0.000	1	119.1510	0.000	1	118.0627	1.079	3	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6,6]	3:4:4:	3:4:4:2:	3:3:4:	C[5,6,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:O-2:	N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO)	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH)	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H)	N[5,6](C[5,6,6]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]CO){3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6,6]C[5])(C[6]C[6]HH)(CH3)(OH){1|N<3>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6]C[5]C[6])2(C[6,6]C[6]2H){2|O<2>,4|C<4>,8|H<1>}	123.8250	0.000	1	123.8250	0.000	1	123.8250	0.000	1	123.8250	0.000	1	123.8250	0.000	1	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:3:	3:3:3:1:	3:3:3:	C[5,6]-3:C[6]-4:C[5]-3:	C[6,6a]-3:N[5,6]-3:C-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C)	N[5,6](C[5,6]C[5,6a]C[6])(C[6]C[6,6a]CH)(C[5]C[5,6a]O){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(CNO)(H){1|H<1>,1|O<1>,5|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6,6a]C){1|O<1>,2|H<1>,5|C<3>}	121.0230	0.000	1	121.0230	0.000	1	121.0230	0.000	1	121.0230	0.000	1	119.8960	5.056	8	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:3:1:1:	3:3:2:	C[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:H-1:H-1:	N[5,6]-3:N[5]-3:N[6]-2:	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(N[6]N[6])	N[5,6](C[5,6]N[5]N[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]N[6]O)(H)2{1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(N[6]N[6]){1|C<3>,7|H<1>}	120.7410	0.000	1	120.7410	0.000	1	120.7410	0.000	1	120.7410	0.000	1	119.8960	5.056	8	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6]	3:4:4:	3:4:2:1:	3:3:3:	C[5,6]-3:S[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:N[5,6]-3:C[6]-3:	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H)	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[6]S[5])(C[6]C[6]H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	118.9760	0.000	2	118.9760	0.000	2	118.9760	0.000	2	118.9760	0.000	2	119.8960	5.056	8	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:1:	3:3:3:	C[6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,2|C<3>,3|C<2>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CC)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,2|C<3>,6|H<1>}	118.4900	0.000	1	118.4900	0.000	1	118.4900	0.000	1	118.4900	0.000	1	119.8960	5.056	8	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:3:4:2:	3:3:3:	C[6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:O-2:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H)	N[5,6](C[6]C[6a]C[6]O)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(OH){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]C)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	121.3350	0.000	1	121.3350	0.000	1	121.3350	0.000	1	121.3350	0.000	1	119.8960	5.056	8	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:	C[5,5]-4:C[5,6]-3:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|S<4>,3|C<3>,3|C<4>,4|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS){2|C<4>,4|C<3>,6|H<1>}	116.0950	0.000	1	116.0950	0.000	1	116.0950	0.000	1	116.0950	0.000	1	119.8960	5.056	8	116.5102	26.388	18
542	466	818	6:SP3_SP2_SP3	N[5,6]	C[6]	C[5,6]	4:4:3:	3:3:4:1:	3:3:3:	C[5]-4:C[6]-4:C[5,6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:N[5]-3:	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5])	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]H)	N[5,6](C[5]C[6a]C[5]H)(C[6]C[6a]C[6]H)(C[5,6]C[6]N[5]){1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]CH)(H){1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N)(N[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	123.5320	0.000	1	123.5320	0.000	1	123.5320	0.000	1	123.5320	0.000	1	119.8960	5.056	8	116.5102	26.388	18
542	466	878	0:SP3_SP-NON_SP3	N[5]	C[6]	Ga[4,5]	4:4:3:	3:4:4:1:	4:4:3:1:	Ga[4,5]-4:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[4,5]-4:N[4,5]-4:N[5]-3:Cl-1:	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H)	C[6](N[5]Ga[4,5]C[5])(C[6]C[6]HH)2(H)	Ga[4,5](N[4,5]Ga[4,5]C[5]C[6])2(N[5]C[5]C[6])(Cl)	N[5](Ga[4,5]N[4,5]2Cl)(C[6]C[6]2H)(C[5]C[5]H){1|Ga<4>,1|C<3>,4|C<4>,5|H<1>}	C[6](N[5]Ga[4,5]C[5])(C[6]C[6]HH)2(H){1|Cl<1>,1|C<3>,1|C<4>,2|N<4>,5|H<1>}	Ga[4,5](N[4,5]Ga[4,5]C[5]C[6])2(N[5]C[5]C[6])(Cl){1|Cl<1>,1|C<3>,1|N<3>,6|C<4>,6|H<1>}	130.5170	0.000	1	130.5170	0.000	1	130.5170	0.000	1	130.5170	0.000	1	130.5170	0.000	1	130.5170	0.000	1
542	466	885	0:SP2_SP-NON_SP3	N[5]	C[6]	Ga[5]	4:4:3:	3:4:4:1:	3:3:4:4:	Ga[5]-4:C[6]-4:C[5]-3:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:N[5]-3:C-4:C-4:	N[5](Ga[5]N[5]CC)(C[6]C[6]2H)(C[5]C[5]H)	C[6](N[5]Ga[5]C[5])(C[6]C[6]HH)2(H)	Ga[5](N[5]C[5]C[6])2(CH3)2	N[5](Ga[5]N[5]CC)(C[6]C[6]2H)(C[5]C[5]H){3|C<4>,5|H<1>}	C[6](N[5]Ga[5]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	Ga[5](N[5]C[5]C[6])2(CH3)2{4|C<4>,4|H<1>}	127.8010	0.402	2	127.8010	0.161	2	127.8010	0.161	2	127.8010	0.161	2	127.8010	0.161	2	127.8010	0.161	2
542	466	931	6:SP2_SP3_SPD5	N[5,6]	C[6]	Si[5,5,6]	5:4:2:	3:4:4:4:	3:3:2:2:4:	Si[5,5,6]-5:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:C-4:C-4:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	132.6170	0.000	1	132.6170	0.000	1	132.8808	0.222	4	132.8808	0.222	4	132.8808	0.222	4	130.3915	15.415	6
542	466	931	6:SP2_SP3_SPD5	N[5,6]	C[6]	Si[5,5,6]	5:4:2:	3:4:4:4:	3:3:2:2:4:	Si[5,5,6]-5:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:C-4:C-4:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|N<2>,2|H<1>,3|C<3>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CCHH){2|C<3>,4|C<4>}	132.8780	0.724	2	132.8780	0.524	2	132.8808	0.222	4	132.8808	0.222	4	132.8808	0.222	4	130.3915	15.415	6
542	466	931	6:SP2_SP3_SPD5	N[5,6]	C[6]	Si[5,5,6]	5:4:2:	3:4:4:4:	3:3:2:2:4:	Si[5,5,6]-5:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:C-4:C-4:	N[5,6]-3:N[5,6]-3:O[5]-2:O[5]-2:C-4:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	Si[5,5,6](N[5,6]C[6]N[5])2(O[5]C[5])2(CH3){6|C<4>}	133.1500	0.000	1	133.1500	0.000	1	132.8808	0.222	4	132.8808	0.222	4	132.8808	0.222	4	130.3915	15.415	6
542	466	931	6:SP2_SP3_SPD5	N[5,6]	C[6]	Si[5,6,6]	5:3:4:	3:3:3:1:	3:3:3:2:2:	Si[5,6,6]-5:C[5,6a]-3:C[6]-4:	N[5,6]-3:C[6,6a]-3:C[6a]-3:H-1:	N[5,6]-3:N[5,6]-3:C[6a]-3:O[6]-2:O[6]-2:	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H)	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2	N[5,6](Si[5,6,6]N[5,6]C[6a]O[6]2)(C[5,6a]C[5,6a]C[6a])(C[6]C[6,6a]C[6a]H){10|C<3>,1|H<1>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(H){1|N<3>,2|O<2>,3|H<1>,7|C<3>}	Si[5,6,6](N[5,6]C[5,6a]C[6])2(C[6a]C[6a]2)(O[6]C[6,6a])2{10|C<3>,3|H<1>}	125.4130	1.433	2	125.4130	2.052	2	125.4130	2.052	2	125.4130	2.052	2	125.4130	2.052	2	130.3915	15.415	6
542	466	939	0:SP2_SP2_SP3	N[5]	C[6]	Ge[5]	3:3:4:	3:4:4:1:	6:3:1:	Ge[5]-3:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5x3,6x5,20x6]-6:N[5]-3:Cl-1:	N[5](Ge[5]C[5x3,6x5,20x6]Cl)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H)	C[6](N[5]Ge[5]C[5])(C[6]C[6]HH)2(H)	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(Cl)	N[5](Ge[5]C[5x3,6x5,20x6]Cl)(C[5]C[5x3,6x5,20x6]N)(C[6]C[6]2H){2|C<4>,4|H<1>,6|B<6>}	C[6](N[5]Ge[5]C[5])(C[6]C[6]HH)2(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<6>,4|H<1>}	Ge[5](C[5x3,6x5,20x6]B[5x3,5x5,20x6]4C[5x3,6x5,20x6])(N[5]C[5]C[6])(Cl){1|N<3>,2|C<4>,5|B<6>,5|H<1>}	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1	118.1440	0.000	1
542	466	939	0:SP3_SP2_SP3	N[5,6,6]	C[6]	Ge[5,6]	4:3:4:	3:4:1:1:	3:3:3:	C[5,6,6]-4:Ge[5,6]-3:C[6]-4:	N[5,6,6]-3:C[6]-4:H-1:H-1:	N[5,6,6]-3:N[5,6]-3:N[6,6]-3:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH)	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]C)(Ge[5,6]N[5,6]N[6,6])(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[5,6,6]C[5,6,6]Ge[5,6])(C[6]N[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|N<3>}	Ge[5,6](N[5,6,6]C[5,6,6]C[6])(N[5,6]C[5,6]C[6])(N[6,6]C[6,6]C[6]){3|C<4>,4|C<3>,4|H<1>}	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1
542	466	955	0:SP2_SP3_SP3	N[5,6]	C[6]	P[5]	3:4:4:	3:4:1:1:	3:4:2:1:	C[5,6,6a]-3:C[6]-4:P[5]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-2:O-1:	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(P[5]C[5]OO)	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2	P[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(OC)(O)	N[5,6](C[5,6,6a]C[5,6a]C[6,6a])(C[6]C[6]HH)(P[5]C[5]OO){1|C<4>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6,6a]P[5])(C[6]C[6]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	P[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(OC)(O){1|C<4>,2|C<3>,2|H<1>}	126.8700	0.000	1	126.8700	0.000	1	126.8700	0.000	1	126.8700	0.000	1	126.8700	0.000	1	126.8700	0.000	1
542	466	955	0:SP3_SP3_SP3	N[5,6]	C[6]	P[5]	4:4:4:	3:4:1:1:	3:3:2:1:	C[5,6]-4:P[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5,6]-3:O-2:S-1:	N[5,6](C[5,6]C[5,6]C[6]H)(P[5]N[5,6]OS)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2	P[5](N[5,6]C[5,6]C[6])2(OC[6])(S)	N[5,6](C[5,6]C[5,6]C[6]H)(P[5]N[5,6]OS)(C[6]C[6]HH){3|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]HH)(H)2{1|N<3>,1|O<2>,1|S<1>,2|C<4>,3|H<1>}	P[5](N[5,6]C[5,6]C[6])2(OC[6])(S){4|C<4>,6|H<1>}	123.7240	1.986	2	123.7240	3.942	2	123.7240	3.942	2	123.7240	3.942	2	123.7240	3.942	2	123.7240	3.942	2
542	466	955	6:SP3_SP3_SP3	N[5,6]	C[6]	P[5,6]	4:4:4:	3:4:1:1:	3:3:2:1:	P[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:O[6]-2:O-1:	N[5,6](P[5,6]N[5]O[6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2	P[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(O)	N[5,6](P[5,6]N[5]O[6]O)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|H<1>}	C[6](N[5,6]P[5,6]C[5])(C[6]C[6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	P[5,6](N[5,6]C[5]C[6])(N[5]C[5]C)(O[6]C[6])(O){1|C<4>,8|H<1>}	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1	115.4720	0.000	1
542	466	959	0:SP2_SP3_SP3	N[5,6]	C[6,6]	S[5]	4:3:4:	3:4:2:1:	3:3:1:1:	C[6,6]-4:C[5,6]-3:S[5]-4:	N[5,6]-3:C[6,6]-4:O[6]-2:H-1:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6,6])(O)2	N[5,6](C[6,6]C[6,6]O[6]H)(C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO){2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[5,6]C[5,6]S[5])(C[6,6]C[6]2H)(O[6]C[6,6a])(H){2|O<1>,3|H<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6,6])(O)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.6745	1.446	2	121.6745	2.091	2	121.6745	2.091	2	121.6745	2.091	2	121.6745	2.091	2	121.9396	2.606	7
542	466	959	0:SP2_SP3_SP3	N[5,6]	C[6]	S[5]	3:4:4:	3:3:1:1:	3:3:1:1:	C[5,6]-3:C[6]-4:S[5]-4:	C[6,6a]-3:N[5,6]-3:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6a]HH)(S[5]C[5,6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	N[5,6](C[5,6]C[5,6a]N[6])(C[6]C[6,6a]HH)(S[5]C[5,6a]OO){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S[5])(H)2{1|H<1>,1|N<2>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|N<2>,3|C<3>,3|H<1>}	121.2200	0.000	1	121.2200	0.000	1	121.2200	0.000	1	121.2200	0.000	1	120.7453	0.169	3	121.9396	2.606	7
542	466	959	0:SP2_SP3_SP3	N[5,6]	C[6]	S[5]	3:4:4:	3:4:2:1:	3:3:1:1:	C[5,6]-3:S[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	120.5080	0.000	2	120.5080	0.000	2	120.5080	0.000	2	120.5080	0.000	2	120.7453	0.169	3	121.9396	2.606	7
542	466	959	0:SP2_SP3_SP3	N[5]	C[6]	S[5]	4:3:4:	3:4:4:1:	3:3:1:1:	S[5]-4:C[5]-3:C[6]-4:	N[5]-3:C[6]-4:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6]C[6]2H)	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)2	N[5](S[5]C[5,6a]OO)(C[5]C[5,6a]O)(C[6]C[6]2H){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5]C[5]S[5])(C[6]C[6]BrH)(C[6]C[6]HH)(H){1|C<4>,2|C<3>,3|O<1>,4|H<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	123.5900	0.000	1	123.5900	0.000	1	123.5900	0.000	1	123.5900	0.000	1	123.9960	0.330	2	121.9396	2.606	7
542	466	959	0:SP2_SP3_SP3	N[5]	C[6]	S[5]	4:4:3:	3:3:4:1:	3:3:1:1:	C[6]-4:S[5]-4:C[5]-3:	C[5a,6]-3:N[5]-3:C[6]-4:H-1:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[6]C[5a,6]C[6]H)(S[5]C[5,6a]OO)(C[5]C[5,6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)2	N[5](C[6]C[5a,6]C[6]H)(S[5]C[5,6a]OO)(C[5]C[5,6a]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(N[5]C[5]S[5])(C[6]C[6]HH)(H){1|C<4>,3|H<1>,3|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C[6])(O)2{1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.4020	0.000	1	124.4020	0.000	1	124.4020	0.000	1	124.4020	0.000	1	123.9960	0.330	2	121.9396	2.606	7
542	466	959	0:SP3_SP3_SP3	N[5,6,6]	C[6,6]	S[5]	4:4:4:	3:4:1:1:	3:2:1:1:	C[5,3x6]-4:C[6,6]-4:S[5]-4:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	N[5,6,6]-3:O[5]-2:O-1:O-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(S[5]O[5]OO)	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2	S[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(O)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]HH)(S[5]O[5]OO){2|C<4>,7|H<1>}	C[6,6](N[5,6,6]C[5,3x6]S[5])(C[3x6]C[6,6]2H)(H)2{1|O<2>,2|O<1>,3|C<4>,4|H<1>}	S[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(O)2{3|C<4>,4|H<1>}	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5,6]	C[6,6]	S[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5,6]-4:C[6,6]-4:S[5]-4:	N[5,6]-3:N[6,6]-3:C[6]-3:H-1:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO)	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6,6])(O)2	N[5,6](C[5,6]C[5,6a]C[6a]C[6])(C[6,6]N[6,6]C[6]H)(S[5]C[5,6a]OO){1|H<1>,8|C<3>}	C[6,6](N[5,6]C[5,6]S[5])(N[6,6]C[6]2)(C[6]C[6]H)(H){2|H<1>,2|O<1>,6|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6,6])(O)2{1|N<3>,2|H<1>,5|C<3>}	117.4630	0.000	1	117.4630	0.000	1	117.4630	0.000	1	117.4630	0.000	1	117.4630	0.000	1	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5,6]	C[6]	S[5]	3:4:4:	3:4:2:1:	3:3:1:1:	C[5,6]-3:S[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:O-2:H-1:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	N[5,6](C[5,6]C[5,6a]C[6])(S[5]C[5,6a]OO)(C[6]C[6]HO){1|C<4>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]HH)(OH)(H){1|H<1>,2|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.3640	0.000	2	121.3640	0.000	2	121.3640	0.000	2	121.3640	0.000	2	118.2276	5.921	10	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5,6]	C[6]	S[5]	4:4:4:	3:3:4:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6]H)(S[5]C[5,6a]OO)	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	N[5,6](C[5,6]C[5,6a]C[6]C)(C[6]C[6a]C[6]H)(S[5]C[5,6a]OO){4|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){2|C<4>,2|H<1>,3|O<1>,4|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{2|H<1>,3|C<3>,3|C<4>}	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	115.2070	0.000	1	118.2276	5.921	10	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5,6]	C[6]	S[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,6]-4:C[6]-4:S[5]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:O-1:O-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]N[5]OO)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]2C[6])(H)2	S[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(S[5]N[5]OO){1|C<4>,3|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6a]2C[6])(H)2{1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	S[5](N[5,6]C[5,6]C[6])(N[5]C[5]C)(O)2{2|C<4>,5|H<1>}	115.7000	0.000	1	115.7000	0.000	1	115.7000	0.000	1	116.4300	1.066	2	118.2276	5.921	10	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5,6]	C[6]	S[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,6]-4:S[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a]OO)(C[6]C[6]HH)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	N[5,6](C[5,6]C[5,6a]C[6]C)(S[5]C[5,6a]OO)(C[6]C[6]HH){1|Br<1>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]BrH)(H)2{1|C<4>,1|H<1>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{2|C<4>,3|C<3>,3|H<1>}	117.1600	0.000	1	117.1600	0.000	1	117.1600	0.000	1	116.4300	1.066	2	118.2276	5.921	10	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5,6]	C[6]	S[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5,6,6]-4:C[6]-4:S[5]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:O-1:	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO)	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	S[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[3x5,6]HH)(O)2	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO){1|O<1>,4|C<4>,4|H<1>}	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	S[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[3x5,6]HH)(O)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	116.9640	0.000	1	116.2180	1.113	2	116.2180	1.113	2	117.7078	3.336	4	118.2276	5.921	10	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5,6]	C[6]	S[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5,6,6]-4:C[6]-4:S[5]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:O-1:	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO)	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2	S[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[3x5,6]HH)(O)2	N[5,6](C[5,5,6,6]C[3x5,6]C[5,6]O[6])(C[6]C[6]HH)(S[5]C[5]OO){1|O<2>,4|C<4>,5|H<1>}	C[6](N[5,6]C[5,5,6,6]S[5])(C[6]C[6]HH)(H)2{1|O<2>,2|H<1>,2|O<1>,3|C<4>}	S[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[3x5,6]HH)(O)2{1|O<2>,2|H<1>,4|C<4>}	115.4720	0.000	1	116.2180	1.113	2	116.2180	1.113	2	117.7078	3.336	4	118.2276	5.921	10	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5,6]	C[6]	S[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[6]-4:S[5]-4:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-1:O-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(S[5]C[5]OO)	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2	S[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[6]C[6]HH)(S[5]C[5]OO){1|C<3>,1|N<3>,6|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[5a,6]HH)(H)2{2|C<3>,2|O<1>,3|C<4>}	S[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(O)2{1|C<3>,2|C<4>,4|H<1>}	119.1975	0.138	2	119.1975	0.019	2	119.1975	0.019	2	117.7078	3.336	4	118.2276	5.921	10	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5,6]	C[6]	S[5]	4:4:4:	3:4:4:1:	3:3:1:1:	C[5,6]-4:S[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C-4:H-1:	C[5,6a]-3:N[5,6]-3:O-1:O-1:	N[5,6](C[5,6]C[5,6a]C[6,6]O)(S[5]C[5,6a]OO)(C[6]C[6]CH)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H)	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2	N[5,6](C[5,6]C[5,6a]C[6,6]O)(S[5]C[5,6a]OO)(C[6]C[6]CH){2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6,6]HH)(CCHH)(H){1|C<4>,1|H<1>,1|O<2>,2|O<1>,3|C<3>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(O)2{1|O<2>,2|C<3>,2|H<1>,3|C<4>}	120.6500	0.000	1	120.6500	0.000	1	120.6500	0.000	1	120.6500	0.000	1	118.2276	5.921	10	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5]	C[3x6]	S[5]	4:4:4:	4:4:4:3:	3:3:1:1:	C[3x6]-4:S[5]-4:S[5]-4:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	C[5,6a]-3:N[5]-3:O-1:O-1:	N[5](C[3x6]C[6,6]3)(S[5]C[5,6a]OO)2	C[3x6](C[6,6]C[3x6]HH)3(N[5]S[5]2)	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3x6]S[5])(O)2	N[5](C[3x6]C[6,6]3)(S[5]C[5,6a]OO)2{2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]S[5]2){2|C<3>,3|C<4>,3|H<1>,4|O<1>}	S[5](C[5,6a]C[5,6a]C[6a])(N[5]C[3x6]S[5])(O)2{1|H<1>,2|C<3>,2|O<1>,3|C<4>}	121.9775	0.395	2	121.9775	0.156	2	121.9775	0.156	2	121.9775	0.156	2	121.9775	0.156	2	118.4619	7.307	15
542	466	959	0:SP3_SP3_SP3	N[5]	C[6]	S[5]	4:4:4:	3:4:2:1:	3:4:1:1:	C[5,5,6]-4:C[6]-4:S[5]-4:	N[5]-3:C[6]-4:O[6]-2:H-1:	N[5]-3:C[5]-4:O-1:O-1:	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[6]C[6]O[6]H)(S[5]C[5]OO)	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H)	S[5](N[5]C[5,5,6]C[6])(C[5]C[3x5,6]HH)(O)2	N[5](C[5,5,6]C[3x5,6]C[5,6]H)(C[6]C[6]O[6]H)(S[5]C[5]OO){1|C<3>,5|C<4>,5|H<1>}	C[6](N[5]C[5,5,6]S[5])(C[6]C[6a]C[6]H)(O[6]C[6])(H){2|C<3>,2|O<1>,4|C<4>,5|H<1>}	S[5](N[5]C[5,5,6]C[6])(C[5]C[3x5,6]HH)(O)2{1|O<2>,2|H<1>,4|C<4>}	113.8080	0.000	1	113.8080	0.000	1	113.8080	0.000	1	113.8080	0.000	1	113.8080	0.000	1	118.4619	7.307	15
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	3:4:2:	3:3:4:1:	3:3:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5](C[5,6a]N[5,6a]N[6a])(N[5,6]C[5,6]C[6])	N[5,6](C[5,6]N[5,6a]N[6])(C[6]C[6a]C[6]H)(N[5]C[5,6a]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	N[5](C[5,6a]N[5,6a]N[6a])(N[5,6]C[5,6]C[6]){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	122.7130	0.300	2	122.7130	0.090	2	122.7130	0.090	2	122.7130	0.090	2	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	3:4:2:	3:4:1:1:	3:2:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-2:	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]N[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	N[5](N[5,6]C[5,6]C[6])(N[5]N[5])	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]N[5]){1|H<1>,1|O<2>,2|C<4>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5](N[5,6]C[5,6]C[6])(N[5]N[5]){1|S<2>,2|C<4>,2|H<1>}	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H)	N[5,6](C[5,6]N[5]S[6])(C[6]C[6]HH)(N[5]C[5]){1|O<2>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HO)(H)2{1|C<3>,1|N<3>,1|S<2>,2|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]H){1|S<2>,2|C<4>,2|H<1>}	120.5500	0.000	1	120.5500	0.000	1	120.5500	0.000	1	120.0377	0.348	3	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	3:4:2:	3:4:1:1:	3:3:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-3:	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5])	N[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]N[5]){1|C<3>,1|C<4>,5|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N[5](N[5,6]C[5,6]C[6])(N[5]C[6a]C[5]){2|C<3>,2|C<4>,3|H<1>}	119.7815	0.549	2	119.7815	0.302	2	119.7815	0.302	2	120.0377	0.348	3	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	3:4:2:	3:4:3:1:	3:2:	C[5,6]-3:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:C-3:H-1:	N[5,6]-3:N[5]-2:	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(N[5]N[5])	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H)	N[5](N[5,6]C[5,6]C[6])(N[5]C[5])	N[5,6](C[5,6]C[5,6]C[5])(C[6]C[6]CH)(N[5]N[5]){1|C<4>,2|H<1>,2|O<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[5,6]HO)(CCH)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	N[5](N[5,6]C[5,6]C[6])(N[5]C[5]){1|C<3>,1|H<1>,2|C<4>}	119.8450	0.000	1	119.8450	0.000	1	119.8450	0.000	1	119.8450	0.000	1	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	4:3:2:	3:3:4:1:	3:3:	C[6]-4:C[5,6]-3:N[5]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-3:	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]N)	N[5,6](C[6]C[6a]C[6]H)(C[5,6]N[5]N[6])(N[5]C[5]){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|N<3>,3|C<3>,3|H<1>}	N[5](N[5,6]C[5,6]C[6])(C[5]N[5]N){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.4230	0.000	1	123.4230	0.000	1	123.4230	0.000	1	123.4230	0.000	1	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:2:	3:3:2:1:	3:3:	C[5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:C[6a]-3:O[6]-2:H-1:	N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]O[6]H)(N[5]C[5]){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6a]C[6a]2)(O[6]C[6,6a])(H){1|C<4>,3|H<1>,5|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5]C){1|O<2>,2|C<3>,4|H<1>}	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	114.0400	0.000	1	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:2:	3:3:3:1:	3:3:	C[5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|N<3>,4|C<3>,4|H<1>}	112.0870	0.229	2	112.0870	0.052	2	112.0870	0.052	2	112.0870	0.052	2	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:2:	3:3:4:1:	3:3:	Si[5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5])	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	N[5](N[5,6]Si[5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,6]C[6]O[5]O)(C[6]C[6a]C[6]H)(N[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5,6]Si[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|O<2>,3|C<3>,4|H<1>}	N[5](N[5,6]Si[5,6]C[6])(C[5]O[5]C){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	114.6805	0.240	2	114.6805	0.057	2	114.6805	0.057	2	114.6805	0.057	2	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:2:	C[5,5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-2:	N[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]N[5])	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2	N[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5])	N[5,6](C[5,5,6]C[6,6a]C[5,5]C[5])(C[6]C[6]HH)(N[5]N[5]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](N[5,6]C[5,5,6]N[5])(C[6]C[6,6a]HH)(H)2{1|C<4>,1|N<2>,3|C<3>}	N[5](N[5,6]C[5,5,6]C[6])(N[5]C[5,5]){2|C<3>,2|C<4>,3|H<1>}	114.7660	0.000	1	114.7660	0.000	1	114.7660	0.000	1	114.9660	0.080	2	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:2:	C[5,6,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:N[5]-2:	N[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]N[5])	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2	N[5](N[5,6]C[5,6,6]C[6])(N[5]C[5,6])	N[5,6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]HH)(N[5]N[5]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6,6]N[5])(C[6]C[6]HH)(H)2{1|N<2>,2|H<1>,3|C<4>}	N[5](N[5,6]C[5,6,6]C[6])(N[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	115.1660	0.000	1	115.1660	0.000	1	115.1660	0.000	1	114.9660	0.080	2	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:2:	3:4:1:1:	3:3:	C[5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2	N[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C)	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(N[5]C[5]){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]O[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]C){2|C<3>,2|C<4>,3|H<1>}	117.8790	0.000	1	117.8790	0.000	1	117.8790	0.000	1	117.8790	0.000	1	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	5:4:2:	3:4:4:4:	3:3:	Si[5,5,6]-5:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:C-4:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]CH)(CCHH)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,4|C<4>}	111.4890	0.000	1	111.4890	0.000	1	112.3865	0.701	4	112.3865	0.701	4	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	5:4:2:	3:4:4:4:	3:3:	Si[5,5,6]-5:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:C-4:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5])	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|N<2>,2|H<1>,3|C<3>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]C[6a]O[5]){1|N<3>,1|O<2>,2|C<3>,4|C<4>}	112.8025	0.974	2	112.8025	0.948	2	112.3865	0.701	4	112.3865	0.701	4	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5,6]	C[6]	N[5]	5:4:2:	3:4:4:4:	3:3:	Si[5,5,6]-5:C[6]-4:N[5]-2:	N[5,6]-3:C[6]-4:C-4:C-4:	N[5,6]-3:C[5]-3:	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5])	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C)	N[5,6](Si[5,5,6]N[5,6]O[5]2C)(C[6]C[6]CC)(N[5]C[5]){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](N[5,6]Si[5,5,6]N[5])(C[6]C[6]HH)(CH3)2{1|C<3>,1|N<3>,2|C<4>,2|O<2>}	N[5](N[5,6]Si[5,5,6]C[6])(C[5]O[5]C){1|N<3>,1|O<2>,4|C<4>}	112.4520	0.000	1	112.4520	0.000	1	112.3865	0.701	4	112.3865	0.701	4	116.8359	18.030	20	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5]	C[3x6]	N[5]	4:2:2:	4:4:4:3:	3:3:	C[3x6]-4:C[5]-2:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:	N[5](C[3x6]C[6,6]3)(C[5]N[5])(N[5]C[5])	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5])	N[5](N[5]C[3x6]C[5])(C[5]C[6a]N[5])	N[5](C[3x6]C[6,6]3)(C[5]N[5])(N[5]C[5]){2|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5]){1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5](N[5]C[3x6]C[5])(C[5]C[6a]N[5]){3|C<3>,3|C<4>}	118.1120	3.141	2	118.1120	9.866	2	118.1120	9.866	2	118.1120	9.866	2	117.0938	8.397	10	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:	C[3x6]-4:C[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:C[5]-3:	N[5](C[3x6]C[6,6]3)(C[5]N[5]Ir)(N[5]C[5])	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5])	N[5](N[5]C[3x6]C[5])(C[5]N[5]H)	N[5](C[3x6]C[6,6]3)(C[5]N[5]Ir)(N[5]C[5]){4|C<4>,7|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5]){1|Ir<6>,1|C<3>,1|N<3>,3|C<4>,3|H<1>}	N[5](N[5]C[3x6]C[5])(C[5]N[5]H){1|Ir<6>,4|C<4>}	115.0170	2.075	2	115.0170	4.304	2	115.0170	4.304	2	117.9727	6.457	6	117.0938	8.397	10	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5]	C[3x6]	N[5]	4:3:2:	4:4:4:3:	3:3:	C[3x6]-4:C[5]-3:N[5]-2:	C[6,6]-4:C[6,6]-4:C[6,6]-4:N[5]-3:	N[5]-3:N[5]-3:	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5])	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5])	N[5](N[5]C[3x6]C[5])(N[5]C[5]Pt)	N[5](C[3x6]C[6,6]3)(C[5]C[5]H)(N[5]N[5]){1|Pt<4>,1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(N[5]C[5]N[5]){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	N[5](N[5]C[3x6]C[5])(N[5]C[5]Pt){1|C<3>,1|H<1>,3|C<4>}	119.4505	0.768	4	119.4505	0.590	4	119.4505	0.590	4	117.9727	6.457	6	117.0938	8.397	10	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5]	C[3x6]	N[5]	4:4:2:	3:4:4:4:	3:2:	C[3x6]-4:Si[5,5]-4:N[5]-2:	N[5]-3:C[6,6]-4:C[6,6]-4:C[6,6]-4:	N[5]-3:N[5]-2:	N[5](C[3x6]C[6,6]3)(Si[5,5]N[5]3)(N[5]N[5])	C[3x6](N[5]Si[5,5]N[5])(C[6,6]C[3x6]HH)3	N[5](N[5]Si[5,5]C[3x6])(N[5]N[5])	N[5](C[3x6]C[6,6]3)(Si[5,5]N[5]3)(N[5]N[5]){6|H<1>,8|C<4>}	C[3x6](N[5]Si[5,5]N[5])(C[6,6]C[3x6]HH)3{1|N<2>,3|C<4>,3|H<1>,3|N<3>}	N[5](N[5]Si[5,5]C[3x6])(N[5]N[5]){2|N<3>,4|C<4>}	113.4390	0.057	2	113.4390	0.003	2	113.4390	0.003	2	113.4390	0.003	2	117.0938	8.397	10	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5]	C[6]	N[5]	4:3:2:	3:3:3:1:	3:3:	C[6]-4:C[5]-3:N[5]-2:	N[5]-3:C[6]-3:C[6]-3:H-1:	N[5]-3:C[5]-3:	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5])	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H)	N[5](N[5]C[5]C[6])(C[5]N[5]O)	N[5](C[6]C[6]2H)(C[5]N[5]O)(N[5]C[5]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5](N[5]C[5]C[6])(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	120.4170	0.000	1	121.1553	1.137	27	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5]	C[6]	N[5]	4:3:2:	3:4:4:1:	3:3:	C[6]-4:C[5]-3:N[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5]-3:	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(N[5]C[5])	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H)	N[5](N[5]C[5]C[6])(C[5]N[5]H)	N[5](C[6]C[6]2H)(C[5]N[5]Pd)(N[5]C[5]){4|C<4>,4|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]CH)(C[6]C[6]HH)(H){1|Pd<4>,1|C<3>,1|N<3>,2|C<4>,3|H<1>}	N[5](N[5]C[5]C[6])(C[5]N[5]H){1|Pd<4>,1|H<1>,3|C<4>}	121.2809	1.039	24	121.2809	1.079	24	121.2809	1.079	24	121.1837	1.160	26	121.1553	1.137	27	118.9272	12.551	57
542	466	960	0:SP2_SP2_SP3	N[5]	C[6]	N[5]	4:3:2:	3:4:4:1:	3:3:	C[6]-4:C[5]-3:N[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:N[5]-3:	N[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5])	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H)	N[5](N[5]C[5]C[6])(N[5]C[5]Co)	N[5](C[6]C[6]2H)(C[5]C[5]H)(N[5]N[5]){1|Co<6>,3|C<4>,4|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	N[5](N[5]C[5]C[6])(N[5]C[5]Co){2|H<1>,3|C<4>}	120.0180	1.110	2	120.0180	1.232	2	120.0180	1.232	2	121.1837	1.160	26	121.1553	1.137	27	118.9272	12.551	57
542	466	960	0:SP3_SP2_SP3	N[5,6]	C[6]	N[5]	4:4:2:	3:3:3:1:	3:3:	C[5,6]-4:C[6]-4:N[5]-2:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5])	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H)	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5])	N[5,6](C[5,6]C[6,6a]C[5]H)(C[6]C[6a]N[6]H)(N[5]C[5]){3|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a]H)(C[6a]C[6a]2)(H){1|C<4>,3|H<1>,5|C<3>}	N[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]){1|N<3>,4|C<3>,4|H<1>}	113.9910	0.000	1	113.9910	0.000	1	113.9910	0.000	1	113.9910	0.000	1	113.9910	0.000	1	113.9910	0.000	1
542	466	976	0:SP2_SP3_SP3	N[5]	C[6]	O[5]	4:3:2:	3:4:4:1:	4:3:	C[6]-4:C[5]-3:O[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	B[5]-4:N[5]-3:	N[5](C[6]C[6]2H)(C[5]O[5]C)(O[5]B[5])	C[6](N[5]C[5]O[5])(C[6]C[6]HH)2(H)	O[5](B[5]C[6a]2O[5])(N[5]C[5]C[6])	N[5](C[6]C[6]2H)(C[5]O[5]C)(O[5]B[5]){2|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5]O[5])(C[6]C[6]HH)2(H){1|B<4>,1|O<2>,2|C<4>,4|H<1>}	O[5](B[5]C[6a]2O[5])(N[5]C[5]C[6]){1|H<1>,3|C<4>,4|C<3>}	115.4710	0.000	1	115.4710	0.000	1	115.4710	0.000	1	115.4710	0.000	1	115.4710	0.000	1	115.4710	0.000	1
542	466	976	0:SP3_SP2_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:4:1:	3:3:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){4|C<3>}	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]C){1|H<1>,2|C<4>,3|C<3>}	106.0520	0.000	1	106.0520	0.000	1	106.0520	0.000	1	106.0520	0.000	1	106.0520	0.000	1	106.0520	0.000	1
542	466	976	0:SP3_SP3_SP3	N[5,6,6]	C[6,6]	O[5]	4:4:2:	3:4:1:1:	3:4:	C[5,3x6]-4:C[6,6]-4:O[5]-2:	N[5,6,6]-3:C[3x6]-4:H-1:H-1:	N[5,6,6]-3:C[5]-4:	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O[5]C[5])	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2	O[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6,6]CH)	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]HH)(O[5]C[5]){1|O<1>,3|C<4>,3|H<1>}	C[6,6](N[5,6,6]C[5,3x6]O[5])(C[3x6]C[6,6]2H)(H)2{1|C<3>,2|C<4>,5|H<1>}	O[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5,6,6]CH){1|C<3>,2|C<4>,4|H<1>}	108.0337	0.273	3	108.0337	0.075	3	108.0337	0.075	3	108.0337	0.075	3	108.0337	0.075	3	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:3:3:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:N[6]-3:C[6a]-3:H-1:	C[3,5]-4:N[5,6]-3:	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5])	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H)	O[5](C[3,5]C[3,5]C[3]C)(N[5,6]C[5,6]C[6])	N[5,6](C[5,6]C[6,6a]C[3,5]H)(C[6]C[6a]N[6]H)(O[5]C[3,5]){2|C<4>,6|C<3>}	C[6](N[5,6]C[5,6]O[5])(N[6]C[6,6a]C)(C[6a]C[6a]2)(H){2|C<4>,3|H<1>,4|C<3>}	O[5](C[3,5]C[3,5]C[3]C)(N[5,6]C[5,6]C[6]){1|N<3>,2|H<1>,5|C<3>}	104.9900	0.000	1	104.9900	0.000	1	104.9900	0.000	1	104.9900	0.000	1	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:3:4:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,5]-4:N[5,6]-3:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(O[5]C[5,5])	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H)	O[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(O[5]C[5,5]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]O[6]HH)(H){2|C<4>,3|C<3>,3|H<1>}	O[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6]){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	110.8500	0.000	1	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:1:1:	3:4:	C[5,5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2	O[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]HH)(O[5]C[5]){1|C<2>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(H)2{2|H<1>,4|C<4>}	O[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH){3|H<1>,4|C<4>}	107.1020	0.000	1	107.1020	0.000	1	107.1020	0.000	1	107.3413	0.363	4	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:1:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]C[6]H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]HH)(O[5]C[5]){2|C<4>,2|O<2>,5|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HO)(H)2{1|O<2>,2|H<1>,3|C<4>}	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]C[6]H){1|O<2>,3|C<4>,6|H<1>}	106.6390	0.000	1	106.6390	0.000	1	107.4210	0.506	3	107.3413	0.363	4	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:1:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:	N[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2	O[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)	N[5,6](C[5,6]C[5,6]C[6a]H)(C[6]C[6]HH)(O[5]C[5]){1|S<4>,2|C<3>,5|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]S[6]HH)(H)2{1|C<3>,1|H<1>,2|C<4>,2|O<1>}	O[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	107.5940	0.000	1	107.5940	0.000	1	107.4210	0.506	3	107.3413	0.363	4	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:1:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	N[5,6]-3:C[5]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH){1|C<3>,2|C<4>,4|H<1>}	108.0300	0.000	1	108.0300	0.000	1	107.4210	0.506	3	107.3413	0.363	4	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,5]-4:N[5,6]-3:	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5])	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)(O[5]C[5,5]){1|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	105.0490	0.000	1	105.0490	0.000	1	105.0490	0.000	1	107.0845	8.287	2	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:1:1:	4:3:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:H-1:H-1:	C[5,6]-4:N[5,6]-3:	N[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6])	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2	O[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6])	N[5,6](C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)(O[5]C[5,6]){1|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(H)2{3|C<4>,3|H<1>}	O[5](C[5,6]C[5,6]C[6]H)(N[5,6]C[5,6]C[6]){1|C<3>,3|C<4>,6|H<1>}	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	107.0845	8.287	2	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:4:1:	3:4:	C[5,5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H)	O[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6]C[6]CH)(O[5]C[5]){1|C<2>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,5,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	O[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH){2|H<1>,5|C<4>}	107.4447	0.767	4	107.4447	0.589	4	107.4447	0.589	4	105.9785	4.354	11	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:4:1:	3:4:	C[5,6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5,6]-4:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H)	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<2>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CCHH)(H){2|H<1>,4|C<4>}	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){1|C<2>,4|H<1>,5|C<4>}	103.2010	0.000	1	103.2010	0.000	1	103.9086	0.288	5	105.9785	4.354	11	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:4:1:	3:4:	C[5,6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5,6]-4:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<2>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){1|C<2>,4|H<1>,5|C<4>}	104.2827	0.174	3	104.0855	0.176	4	103.9086	0.288	5	105.9785	4.354	11	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:4:1:	3:4:	C[5,6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5,6]-4:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6])	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H)	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[6]C[6]CH)(O[5]C[5,6]){1|C<3>,3|C<4>,8|H<1>}	C[6](N[5,6]C[5,6,6]O[5])(C[6]C[6]HH)(CHHO)(H){2|H<1>,4|C<4>}	O[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H){1|C<3>,4|H<1>,5|C<4>}	103.4940	0.000	1	104.0855	0.176	4	103.9086	0.288	5	105.9785	4.354	11	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:4:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5,5]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5,5])	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H)	O[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]3)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(O[5]C[5,5]){1|C<3>,2|C<4>,6|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]HH)(CH3)(H){3|C<4>,3|H<1>}	O[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]3){1|O<1>,4|H<1>,7|C<4>}	107.7000	0.000	1	107.7000	0.000	1	107.7000	0.000	1	105.9785	4.354	11	106.5862	4.471	19	106.7836	4.098	22
542	466	976	0:SP3_SP3_SP3	N[5,6]	C[6]	O[5]	4:4:2:	3:4:4:1:	3:4:	C[5,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C-4:H-1:	N[5,6]-3:C[5]-4:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(O[5]C[5])	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H)	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]CH)(O[5]C[5]){1|O<1>,1|O<2>,1|S<4>,5|H<1>}	C[6](N[5,6]C[5,6]O[5])(C[6]O[6]HH)(CH3)(H){1|C<3>,3|C<4>}	O[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS){1|C<3>,3|C<4>,3|H<1>}	108.7420	0.000	1	108.7420	0.000	1	108.7420	0.000	1	105.9785	4.354	11	106.5862	4.471	19	106.7836	4.098	22
542	466	976	6:SP2_SP3_SP3	N[5,6]	C[6]	O[5,6]	3:4:2:	3:3:4:1:	4:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	O[5,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	104.5877	0.224	3	104.5877	0.050	3	104.5877	0.050	3	104.5877	0.050	3	105.2228	0.880	5	105.2228	0.880	5
542	466	976	6:SP2_SP3_SP3	N[5,6]	C[6]	O[5,6]	3:4:2:	4:3:4:4:	4:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[5,6]-4:N[5,6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{2|C<4>,5|C<3>}	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6]){3|C<3>,4|C<4>}	105.7310	0.000	1	106.1755	0.395	2	106.1755	0.395	2	106.1755	0.395	2	105.2228	0.880	5	105.2228	0.880	5
542	466	976	6:SP2_SP3_SP3	N[5,6]	C[6]	O[5,6]	3:4:2:	4:3:4:4:	4:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[5,6]-4:N[5,6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{3|C<4>,4|C<3>}	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6]){2|C<3>,5|C<4>}	106.6200	0.000	1	106.1755	0.395	2	106.1755	0.395	2	106.1755	0.395	2	105.2228	0.880	5	105.2228	0.880	5
542	466	976	6:SP3_SP3_SP3	N[5,6]	C[6]	O[5,6]	3:4:2:	3:3:4:1:	4:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	N[5,6]-3:C[6a]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6])	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H)	O[5,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[6a]C[6]H)(O[5,6]C[5,6]){1|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6a]O[5,6])(C[6a]C[6a]2)(C[6]C[6]HH)(H){1|C<4>,2|H<1>,6|C<3>}	O[5,6](C[5,6]C[5,6a]C[6]H)(N[5,6]C[5,6a]C[6]){1|C<4>,1|H<1>,5|C<3>}	104.1030	0.058	2	104.1030	0.003	2	104.1030	0.003	2	104.1030	0.003	2	105.1080	1.425	4	105.1080	1.425	4
542	466	976	6:SP3_SP3_SP3	N[5,6]	C[6]	O[5,6]	3:4:2:	3:3:4:4:	4:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	N[5,6]-3:C[5,6]-3:C-4:C-4:	C[5,6]-4:N[5,6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,2|H<1>,3|C<3>}	C[6](N[5,6]C[5,6a]O[5,6])(C[5,6]C[5,6]C[5])(CH3)2{1|C<4>,2|H<1>,4|C<3>}	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6]){1|H<1>,2|C<4>,4|C<3>}	105.7730	0.000	1	105.7730	0.000	1	105.7730	0.000	1	105.7730	0.000	1	105.1080	1.425	4	105.1080	1.425	4
542	466	976	6:SP3_SP3_SP3	N[5,6]	C[6]	O[5,6]	3:4:2:	4:3:4:4:	4:3:	C[5,6a]-3:C[6]-4:O[5,6]-2:	C[5,6]-4:N[5,6]-3:C-4:C-4:	C[5,6]-4:N[5,6]-3:	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6])	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6])	N[5,6](C[5,6a]C[5,6a]C[6a])(C[6]C[5,6]CC)(O[5,6]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]O[5,6])(CH3)2{2|C<4>,5|C<3>}	O[5,6](C[5,6]C[5,6a]C[5,6]H)(N[5,6]C[5,6a]C[6]){3|C<3>,4|C<4>}	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	106.4530	0.000	1	105.1080	1.425	4	105.1080	1.425	4
542	466	987	0:SP2_SP-NON_SP3	N[5]	C[6]	P[5]	4:3:2:	3:3:4:1:	3:3:	C[6]-4:C[5]-3:P[5]-2:	C[6,6a]-3:N[5]-3:C[6]-4:H-1:	N[5]-3:N[5]-3:	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5])	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H)	P[5](N[5]C[5]C[6])2	N[5](C[6]C[6,6a]C[6]H)(C[5]C[5]H)(P[5]N[5]){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5]C[5]P[5])(C[6]C[6]HH)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	P[5](N[5]C[5]C[6])2{2|C<3>,2|C<4>,4|H<1>}	124.9025	0.064	2	124.9025	0.004	2	124.9025	0.004	2	124.9025	0.004	2	124.5976	0.421	10	124.5976	0.421	10
542	466	987	0:SP2_SP-NON_SP3	N[5]	C[6]	P[5]	4:3:2:	3:4:4:1:	3:3:	C[6]-4:C[5]-3:P[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:N[5]-3:	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5])	C[6](N[5]C[5]P[5])(C[6]C[6]HH)2(H)	P[5](N[5]C[5]C[6])2	N[5](C[6]C[6]2H)(C[5]C[5]H)(P[5]N[5]){3|C<4>,5|H<1>}	C[6](N[5]C[5]P[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	P[5](N[5]C[5]C[6])2{4|C<4>,4|H<1>}	124.5214	0.713	8	124.5214	0.508	8	124.5214	0.508	8	124.5214	0.508	8	124.5976	0.421	10	124.5976	0.421	10
542	466	997	0:SP2_SP3_SP3	N[5]	C[6]	Se[5]	3:4:2:	3:4:4:1:	3:2:	C[5,6a]-3:C[6]-4:Se[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:N[5]-2:	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5])	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H)	Se[5](N[5]C[5,6a]C[6])(N[5]C[5,6a])	N[5](C[5,6a]C[5,6a]C[6a])(C[6]C[6]2H)(Se[5]N[5]){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[5]C[5,6a]Se[5])(C[6]C[6]N[5]H)(C[6]C[6]HH)(H){1|Se<2>,1|C<4>,1|N<2>,3|C<3>,4|H<1>}	Se[5](N[5]C[5,6a]C[6])(N[5]C[5,6a]){1|H<1>,2|C<3>,2|C<4>}	123.2215	0.142	2	123.2215	0.020	2	123.2215	0.020	2	123.2215	0.020	2	122.8431	0.653	7	122.8431	0.653	7
542	466	997	0:SP2_SP3_SP3	N[5]	C[6]	Se[5]	4:3:2:	3:4:4:1:	3:3:	C[6]-4:C[5]-3:Se[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:C[5]-3:	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5])	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H)	Se[5](N[5]C[5]C[6])(C[5]C[5]C)	N[5](C[6]C[6]2H)(C[5]C[5]O)(Se[5]C[5]){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	Se[5](N[5]C[5]C[6])(C[5]C[5]C){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	121.3640	0.000	1	121.3640	0.000	1	121.3640	0.000	1	122.6918	0.874	5	122.8431	0.653	7	122.8431	0.653	7
542	466	997	0:SP2_SP3_SP3	N[5]	C[6]	Se[5]	4:3:2:	3:4:4:1:	3:3:	C[6]-4:C[5]-3:Se[5]-2:	N[5]-3:C[6]-4:C[6]-4:H-1:	N[5]-3:N[5]-3:	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5])	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H)	Se[5](N[5]C[5]C[6])2	N[5](C[6]C[6]2H)(C[5]C[5]H)(Se[5]N[5]){3|C<4>,5|H<1>}	C[6](N[5]Se[5]C[5])(C[6]C[6]HH)2(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	Se[5](N[5]C[5]C[6])2{4|C<4>,4|H<1>}	123.0238	0.656	4	123.0238	0.430	4	123.0238	0.430	4	122.6918	0.874	5	122.8431	0.653	7	122.8431	0.653	7
542	466	999	6:SP3_SP3_SP3	N[5,6,6]	C[3x6]	N[5,6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	N[5,6,6]-4:C[5,5,6]-4:C[3x6]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-4:H-1:	N[5,6,6]-3:C[5]-4:C[3x6]-4:H-1:	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H)	C[3x6](N[5,6,6]C[5,5,6]N[5,6,6])(C[6,6]C[6,6]HH)2(H)	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H)	N[5,6,6](N[5,6,6]C[3x6]C[5]H)(C[5,5,6]C[5,5,6]2H)(C[3x6]C[6,6]2H){1|C<3>,5|C<4>,8|H<1>}	C[3x6](N[5,6,6]C[5,5,6]N[5,6,6])(C[6,6]C[6,6]HH)2(H){4|C<4>,6|H<1>}	N[5,6,6](N[5,6,6]C[5,5,6]C[3x6])(C[5]C[5,5,6]C[6a]H)(C[3x6]C[6,6]2H)(H){2|C<3>,4|C<4>,7|H<1>}	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1	108.0380	0.000	1
542	474	474	0:SP2_SP3_SP3	N[5,5]	C[5,6]	C[5]	4:3:4:	3:4:4:2:	3:4:1:1:	C[5,6]-4:C[5,5]-3:C[5]-4:	N[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6]C[6]2O[5])(C[5,5]N[5]2)(C[5]C[5]HH)	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]N[5])	C[5](N[5,5]C[5,5]C[5,6])(C[5]N[5]HH)(H)2	N[5,5](C[5,6]C[6]2O[5])(C[5,5]N[5]2)(C[5]C[5]HH){2|C<4>,7|H<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]N[5]){1|N<3>,2|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]N[5]HH)(H)2{1|H<1>,1|N<2>,1|O<2>,2|C<4>}	129.4760	0.000	2	129.4760	0.000	2	129.4760	0.000	2	129.4760	0.000	2	129.4760	0.000	2	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	131.4890	0.000	1	131.4890	0.000	1	128.7236	13.412	7	128.7236	13.412	7	129.4949	16.255	8	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{1|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	125.5657	1.526	3	128.3328	17.850	5	128.7236	13.412	7	128.7236	13.412	7	129.4949	16.255	8	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{3|Zn<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{2|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	130.3250	0.000	1	128.3328	17.850	5	128.7236	13.412	7	128.7236	13.412	7	129.4949	16.255	8	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	134.6420	0.000	1	128.3328	17.850	5	128.7236	13.412	7	128.7236	13.412	7	129.4949	16.255	8	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2	N[5,5](C[5,5]N[5]S[5])(C[5]C[5]HH)2{1|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)2{1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	127.9120	0.000	1	127.9120	0.000	1	128.7236	13.412	7	128.7236	13.412	7	129.4949	16.255	8	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:3:2:	3:4:1:1:	C[5]-4:C[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-3:C[6a]-3:O-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]O)(C[5,5]C[5]N[5])(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]O)(C[5,5]C[5]N[5])(C[5]C[5]HH){3|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C[6])(C[6a]C[6a]2)(OH){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	134.8940	0.000	1	134.8940	0.000	1	134.8940	0.000	1	134.8940	0.000	1	129.4949	16.255	8	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,2|C<4>}	125.7460	0.000	1	125.7460	0.000	1	125.7460	0.000	1	125.7460	0.000	1	123.7470	7.992	2	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:2:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	121.7480	0.000	1	123.7470	7.992	2	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:3:	4:2:3:3:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:O[5,5]-2:C[5,6]-3:N[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5,5,6]C[5,6]2O[5,5])(C[5]C[6a]C[5]H)(C[5]O[5]O)	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2)	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5](C[5,5,6]C[5,6]2O[5,5])(C[5]C[6a]C[5]H)(C[5]O[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])(C[5,6]C[5,6]O)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](N[5]C[5,5,6]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	125.7210	0.000	1	125.7210	0.000	1	125.7210	0.000	1	125.7210	0.000	1	125.7210	0.000	1	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[5]C[5]2)(H)	C[5](N[5]C[5,6]C[5])(C[5]N[5]HH)(H)2	N[5](C[5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]N[5]O){2|H<1>,7|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]CC)(N[5]C[5]2)(H){1|N<3>,1|O<1>,2|C<4>,7|H<1>}	C[5](N[5]C[5,6]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	127.1670	0.000	1	127.1670	0.000	1	127.1670	0.000	1	127.1670	0.000	1	127.1670	0.000	1	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:3:3:4:	3:4:1:1:	C[5,6a]-3:C[5]-4:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO)	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[5]C)(C[5]C[5]HH){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6a]C[5])(C[5]N[5]O)(CHHO){2|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,6a]C[5])(C[5]C[5,6a]HH)(H)2{1|C<4>,4|C<3>}	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	3:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H)	C[5](C[5]N[5]O)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O[5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]2)(O[5]C[5])(H){1|N<3>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	123.8875	0.350	2	123.8875	0.123	2	123.8875	0.123	2	123.8875	0.123	2	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|H<1>,1|O<1>,2|C<3>}	124.7410	0.000	1	124.4495	0.170	2	124.4495	0.170	2	124.4495	0.170	2	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(N[5]C[5]2)(H){1|C<2>,1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]2)(H)2{1|H<1>,1|O<1>,2|C<3>}	124.1580	0.000	1	124.4495	0.170	2	124.4495	0.170	2	124.4495	0.170	2	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:4:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5,6a]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]2C)(C[5]C[5]HH)(C[5]N[5]Pd)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C)(C[5]C[5]HH)(C[5]N[5]Pd){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(CCHH){1|Pd<4>,1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|Pd<4>,2|C<3>,2|C<4>}	115.4640	0.587	2	115.4640	0.344	2	115.4640	0.344	2	115.4640	0.344	2	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H)	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HO)(N[5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]2)(H)2{1|C<4>,2|C<3>,2|H<1>}	124.0770	0.755	2	124.0770	0.570	2	124.0770	0.570	2	124.0770	0.570	2	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:2:1:	C[5]-4:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:O[5]-2:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5]H)(C[5]O[5]O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]O[5]H)(C[5]O[5]O){1|Br<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]BrH)(N[5]C[5]2)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,5|H<1>}	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|N<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(O[5]N[5])(H){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	123.0570	0.000	1	123.0570	0.000	1	123.0570	0.000	1	123.0570	0.000	1	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:4:	3:4:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:N[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2C)(C[5]O[5]O)	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2C)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]2)(CC[6a]HH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]2)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	126.1500	1.404	2	126.1500	1.972	2	126.1500	1.972	2	126.1500	1.972	2	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5]CH)(C[5]C[5]HO)(N[5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|O<1>,2|C<4>,3|H<1>}	125.2720	0.000	1	125.2720	0.000	1	125.2720	0.000	1	125.2720	0.000	1	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:2:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:S[5]-2:H-1:	N[5](C[5]C[5]S[5]H)(C[5]C[5]2H)(C[5]C[5]O)	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H)	C[5](C[5]C[5,5]O[5]H)(N[5]C[5]2)(S[5]C[5])(H)	N[5](C[5]C[5]S[5]H)(C[5]C[5]2H)(C[5]C[5]O){2|O<2>,3|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]2)(H){1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|H<1>}	C[5](C[5]C[5,5]O[5]H)(N[5]C[5]2)(S[5]C[5])(H){1|O<1>,1|O<2>,4|C<4>,4|H<1>}	120.5350	0.000	1	120.5350	0.000	1	120.5350	0.000	1	120.5350	0.000	1	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O)	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H)	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H)	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]CH)(C[5]O[5]O){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(C[5]C[5,6]HH)(N[5]C[5]2)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]2)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	124.7720	0.000	1	124.7720	0.000	1	124.7720	0.000	1	124.7720	0.000	1	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:2:	3:4:2:1:	C[5]-4:C[5]-4:S[5]-4:	C[5,6a]-3:N[5]-3:C-3:O-2:	N[5]-3:C[5]-4:O[5]-2:H-1:	N[5](C[5]C[5,6a]CO)(C[5]C[5]O[5]H)(S[5]C[5,6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S[5])(COO)(OO)	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5](C[5]C[5,6a]CO)(C[5]C[5]O[5]H)(S[5]C[5,6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S[5])(COO)(OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5]C[5]S[5])(C[5]C[5]HH)(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	124.7010	0.000	1	124.7010	0.000	1	124.7010	0.000	1	124.7010	0.000	1	123.0889	12.167	17	125.4130	19.444	31
542	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5,5,6]	C[5]	4:4:4:	3:3:4:1:	3:3:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:	N[5,5,6]-3:C[5,5]-3:C[5,6]-4:H-1:	N[5,5,6]-3:N[5]-3:C-4:C-4:	N[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CC)	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H)	C[5](N[5,5,6]C[5,5,6]2)(N[5]C[5]C)(CH3)2	N[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CC){1|H<1>,1|S<2>,2|O<1>,3|C<4>}	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	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>}	120.2510	0.000	1	120.2510	0.000	1	120.2510	0.000	1	120.2510	0.000	1	120.2510	0.000	1	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:	C[5,6,6]-4:N[5,5,6]-3:C[5,6]-4:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2C)(C[5]C[5]HH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H)	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2	N[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2C)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	114.6690	0.000	1	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5]	4:4:4:	4:3:1:1:	3:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:H-1:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH){2|O<2>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	111.9260	0.000	1	120.5660	56.025	3	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH){1|N<2>,1|N<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	125.0810	0.000	1	124.8860	0.076	2	124.8860	0.076	2	124.8860	0.076	2	120.5660	56.025	3	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH){2|N<2>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	124.6910	0.000	1	124.8860	0.076	2	124.8860	0.076	2	124.8860	0.076	2	120.5660	56.025	3	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5,6]	C[5]	C[5,5,6]	4:4:4:	3:4:4:4:	3:4:4:1:	N[5,5,6]-4:C[5,5,6]-4:C[5]-4:	N[5,5,6]-3:C[5,6]-4:C-4:C-4:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	N[5,5,6](N[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]CC)	C[5](N[5,5,6]C[5,5,6]N[5,5,6])(C[5,6]C[5,6]C[6]H)(CCHH)2	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H)	N[5,5,6](N[5,5,6]C[5,5,6]C[5,6]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5,6]CC){1|C<3>,2|C<4>,7|H<1>}	C[5](N[5,5,6]C[5,5,6]N[5,5,6])(C[5,6]C[5,6]C[6]H)(CCHH)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,5,6](N[5,5,6]N[5,5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(H){4|C<4>,4|H<1>}	125.8510	0.000	1	125.8510	0.000	1	125.8510	0.000	1	125.8510	0.000	1	125.8510	0.000	1	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:4:	3:4:3:4:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5,5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|O<2>,4|C<3>,6|H<1>}	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C){3|C<3>,3|C<4>,7|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	121.2180	0.000	1	121.2180	0.000	1	121.2180	0.000	1	121.2180	0.000	1	121.6865	3.861	12	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:4:	4:3:4:3:	3:2:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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[5,5]C[5,5]C[5])	C[5](N[5,5]C[3x5]C[5,5])(S[5]C[5])(H)2	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,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[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	119.6760	0.000	1	119.6760	0.000	1	119.6760	0.000	1	119.6760	0.000	1	121.6865	3.861	12	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:4:	4:3:4:3:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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[5,5]C[5,5]C[5])	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	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[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,5|C<3>,7|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	122.1910	0.000	1	122.1910	0.000	1	120.6247	1.853	3	120.8418	2.122	6	121.6865	3.861	12	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:4:	4:3:4:3:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH)	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[5,5]C[5,5]C[5])	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,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[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	119.8415	0.163	2	119.8415	0.027	2	120.6247	1.853	3	120.8418	2.122	6	121.6865	3.861	12	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:4:	4:3:4:3:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O){2|C<3>,3|C<4>,6|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	123.0140	0.000	1	121.0590	3.309	3	121.0590	3.309	3	120.8418	2.122	6	121.6865	3.861	12	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:4:	4:3:4:3:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O){2|C<3>,3|C<4>,6|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	120.0815	0.941	2	121.0590	3.309	3	121.0590	3.309	3	120.8418	2.122	6	121.6865	3.861	12	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:4:	4:4:3:3:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	124.4340	0.305	3	124.4340	0.093	3	123.5733	3.026	4	123.5733	3.026	4	121.6865	3.861	12	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:4:	4:4:3:3:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	120.9910	0.000	1	120.9910	0.000	1	123.5733	3.026	4	123.5733	3.026	4	121.6865	3.861	12	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5]	4:4:3:	4:4:3:1:	3:3:3:4:	C[5,5]-4:C[5,5,6]-4:N[5,5]-3:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5,6a]-3:C[5,6a]-3:C[5,5]-4:	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,4|H<1>,6|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,6a]C[5,6a]C[6a])2(C[5,5]C[5,5]C[5]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	117.8690	0.000	1	116.0645	6.512	2	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5]	4:4:3:	4:4:3:1:	3:4:4:1:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H)	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2){1|O<1>,5|C<4>,7|H<1>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]N[5,5])(H){1|O<1>,4|C<4>,6|H<1>}	C[5,5](N[5,5]C[5,5,6]N[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,7|H<1>}	114.2600	0.000	1	114.2600	0.000	1	114.2600	0.000	1	114.2600	0.000	1	116.0645	6.512	2	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:1:	3:4:4:4:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5,5,6]-4:C-4:C-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H)	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){4|H<1>,7|C<4>}	C[5,5,6](C[5,5,6]C[4,5,6]C[5,5]H)(C[5,5,6]C[5,5,6]C[5]H)(N[5,5]N[5,5]C[5])(H){1|N<3>,4|H<1>,7|C<4>}	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2{1|C<3>,3|H<1>,5|C<4>}	125.0670	0.816	2	125.0670	0.666	2	125.5352	0.540	4	125.5352	0.540	4	125.5352	0.540	4	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:1:	3:4:4:4:	C[5,5,6]-4:N[5,5]-3:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5,5,6]-4:C-4:C-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC)	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H)	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2	N[5,5](C[5,5,6]C[5,5,6]2H)(N[5,5]C[5,5,6]C[5])(C[5]C[5,5,6]CC){1|C<3>,4|H<1>,6|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]N[5,5]C[5])(H){1|C<3>,4|H<1>,6|C<4>}	C[5](N[5,5]C[5,5,6]N[5,5])(C[5,5,6]C[5,5,6]2H)(CF3)2{3|H<1>,6|C<4>}	126.0035	0.275	2	126.0035	0.076	2	125.5352	0.540	4	125.5352	0.540	4	125.5352	0.540	4	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,6]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	118.2640	0.000	1	118.2640	0.000	1	118.8810	0.464	3	118.8810	0.464	3	118.8810	0.464	3	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,6]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O)	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,7|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	119.1895	0.598	2	119.1895	0.357	2	118.8810	0.464	3	118.8810	0.464	3	118.8810	0.464	3	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:3:3:	3:4:4:1:	C[5,5]-4:N[5,5]-3:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(N[5,5]C[5,6a]C[5])(C[5]C[5]CH){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(N[5,5]N[5,5]C[5])(C[5]N[5]O){3|C<4>,3|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]N[5,5])(C[5]C[5]HH)(CH3)(H){1|O<1>,4|C<3>}	119.7970	0.000	1	119.7970	0.000	1	119.7970	0.000	1	119.7970	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{3|H<1>,4|C<3>}	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{3|H<1>,4|C<3>}	119.6065	1.607	2	119.8092	2.416	4	119.8092	2.416	4	119.8092	2.416	4	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{3|H<1>,4|C<3>}	121.5120	0.000	1	119.8092	2.416	4	119.8092	2.416	4	119.8092	2.416	4	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{3|H<1>,4|C<3>}	118.5120	0.000	1	119.8092	2.416	4	119.8092	2.416	4	119.8092	2.416	4	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	118.6140	0.000	1	118.6140	0.000	1	120.8512	2.707	4	119.1807	2.700	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	121.1185	0.274	2	121.1185	0.075	2	120.8512	2.707	4	119.1807	2.700	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	122.5540	0.000	1	122.5540	0.000	1	120.8512	2.707	4	119.1807	2.700	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5,5]-4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3){1|C<4>,1|O<1>,1|S<2>,6|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	118.5690	0.000	1	118.5690	0.000	1	118.5690	0.000	1	119.1807	2.700	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|C<4>,1|S<2>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	118.8200	0.000	1	118.8200	0.000	1	119.1430	0.209	2	119.1807	2.700	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	119.4660	0.000	1	119.4660	0.000	1	119.1430	0.209	2	119.1807	2.700	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:C[5]-3:C[5,5]-4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5,5]C[5]3)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5,5]C[5]3){1|C<4>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	117.9818	0.813	5	117.9818	0.661	5	117.9818	0.661	5	119.1807	2.700	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:3:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]2)(C[5]C[5]H)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.0440	0.000	1	119.0440	0.000	1	119.0440	0.000	1	119.0440	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:3:2:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5,5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3){1|N<2>,2|C<4>,2|O<1>,5|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.4470	0.000	1	119.4470	0.000	1	119.4470	0.000	1	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|Fe<10>,1|N<2>,4|C<3>,4|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	117.1950	0.000	1	118.1680	1.893	2	118.5080	2.393	4	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|N<2>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.1410	0.000	1	118.1680	1.893	2	118.5080	2.393	4	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	120.4010	0.000	1	120.4010	0.000	1	118.5080	2.393	4	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|N<2>,1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	117.2950	0.000	1	117.2950	0.000	1	118.5080	2.393	4	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,4|C<3>,7|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	120.6840	0.000	1	120.7870	0.021	2	120.4017	0.456	3	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	120.8900	0.000	1	120.7870	0.021	2	120.4017	0.456	3	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){3|C<3>,3|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.6310	0.000	1	119.6310	0.000	1	120.4017	0.456	3	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CC)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CC){2|C<3>,2|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.8080	0.000	1	118.8080	0.000	1	118.7030	0.786	4	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CH)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){2|O<1>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.6755	1.531	2	118.6755	2.344	2	118.7030	0.786	4	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]HH)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]HH){3|C<3>,3|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.6530	0.000	1	118.6530	0.000	1	118.7030	0.786	4	119.1247	1.607	12	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	117.6150	0.000	1	117.6150	0.000	1	118.6920	4.133	3	120.0865	1.973	17	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,8|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	117.4240	0.000	1	119.2305	6.527	2	118.6920	4.133	3	120.0865	1.973	17	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|O<1>,2|S<2>,4|C<3>,8|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	121.0370	0.000	1	119.2305	6.527	2	118.6920	4.133	3	120.0865	1.973	17	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	120.8983	0.566	8	120.9103	0.282	9	120.7784	0.294	12	120.0865	1.973	17	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	121.0070	0.000	1	120.9103	0.282	9	120.7784	0.294	12	120.0865	1.973	17	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,8|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	119.9540	0.000	1	120.3827	0.176	3	120.7784	0.294	12	120.0865	1.973	17	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,4|C<3>,8|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	120.5970	0.277	2	120.3827	0.176	3	120.7784	0.294	12	120.0865	1.973	17	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	118.0270	0.092	2	118.0270	0.008	2	118.0270	0.008	2	120.0865	1.973	17	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:3:2:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<4>,4|C<3>,5|H<1>}	121.9790	0.000	1	121.9790	0.000	1	121.9790	0.000	1	121.9790	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[3x5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5])	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5]){2|C<4>,6|H<1>,7|C<3>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	115.6330	0.000	1	115.6330	0.000	1	115.6330	0.000	1	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.3520	0.000	2	119.3520	0.000	2	119.1733	1.252	6	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.6033	1.209	3	119.0840	2.054	4	119.1733	1.252	6	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){2|C<4>,2|O<1>,5|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	117.5260	0.000	1	119.0840	2.054	4	119.1733	1.252	6	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|O<1>,1|O<2>,2|C<4>,5|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.1690	0.000	1	119.1690	0.000	1	120.9262	9.794	5	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	123.9960	0.129	2	121.3655	11.772	4	120.9262	9.794	5	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,8|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	116.7830	0.000	1	121.3655	11.772	4	120.9262	9.794	5	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,3|C<4>,4|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	120.6870	0.000	1	121.3655	11.772	4	120.9262	9.794	5	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O){2|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	117.5790	0.000	1	117.5790	0.000	1	119.4612	7.477	21	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<3>,4|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.2740	0.000	1	119.2892	2.753	10	119.4612	7.477	21	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.9337	1.781	7	119.2892	2.753	10	119.4612	7.477	21	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	120.5410	1.315	2	119.2892	2.753	10	119.4612	7.477	21	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,3|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.9335	1.309	2	118.9335	1.713	2	119.4612	7.477	21	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	125.9910	3.247	2	125.9910	10.543	2	119.4612	7.477	21	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	116.5260	0.000	1	116.5260	0.000	1	119.4612	7.477	21	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.4400	0.000	1	118.3678	2.060	5	119.4612	7.477	21	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.3498	1.657	4	118.3678	2.060	5	119.4612	7.477	21	119.5148	6.899	33	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:2:2:	3:3:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:O[5]-2:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	117.6435	0.209	2	118.5258	1.064	4	118.5258	1.064	4	118.5258	1.064	4	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:2:2:	3:3:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:O[5]-2:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	119.4080	0.185	2	118.5258	1.064	4	118.5258	1.064	4	118.5258	1.064	4	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H){2|C<4>,3|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	114.4820	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	119.7340	0.632	2	119.7340	0.400	2	119.7340	0.400	2	119.7340	0.400	2	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|H<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)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.1110	0.267	2	118.2613	0.104	3	118.7472	3.036	6	118.1359	2.357	15	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|H<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)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,2|C<4>,5|H<1>,7|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.5620	0.000	1	118.2613	0.104	3	118.7472	3.036	6	118.1359	2.357	15	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<2>,3|C<4>,5|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.3240	0.000	1	118.3240	0.000	1	118.7472	3.036	6	118.1359	2.357	15	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	117.2060	0.000	1	119.6875	12.316	2	118.7472	3.036	6	118.1359	2.357	15	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	122.1690	0.000	1	119.6875	12.316	2	118.7472	3.036	6	118.1359	2.357	15	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	118.1359	2.357	15	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	115.7790	0.000	1	117.6657	3.449	3	117.6657	3.449	3	118.1359	2.357	15	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.6090	1.249	2	117.6657	3.449	3	117.6657	3.449	3	118.1359	2.357	15	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH){2|O<1>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)2{2|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	117.3987	0.255	3	117.3987	0.065	3	118.0282	1.251	5	118.1359	2.357	15	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|N<3>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.9725	1.378	2	118.9725	1.899	2	118.0282	1.251	5	118.1359	2.357	15	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,7|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<4>,1|S<2>,1|S<4>,7|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{3|C<4>,4|H<1>}	114.1760	0.000	1	114.1760	0.000	1	114.1760	0.000	1	114.1760	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:3:2:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	114.7720	0.000	1	114.7720	0.000	1	115.2205	0.202	6	115.2205	0.202	6	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:3:2:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	115.3102	0.438	5	115.3102	0.192	5	115.2205	0.202	6	115.2205	0.202	6	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5]H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	115.5330	0.000	1	115.5330	0.000	1	115.5330	0.000	1	115.5330	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6,6]-4:N[5,5]-3:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H){1|N<2>,1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	113.3200	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	121.0300	0.000	1	121.0300	0.000	1	121.0300	0.000	1	119.8820	1.560	3	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	119.3080	1.069	2	119.3080	1.143	2	119.3080	1.143	2	119.8820	1.560	3	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,2|C<4>,5|H<1>,7|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	126.7920	0.000	1	126.7920	0.000	1	126.7920	0.000	1	122.0251	10.607	9	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){2|C<4>,6|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	122.5290	0.000	1	122.6030	0.011	2	122.6030	0.011	2	122.0251	10.607	9	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	122.6770	0.000	1	122.6030	0.011	2	122.6030	0.011	2	122.0251	10.607	9	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	124.0610	0.382	2	124.0610	0.146	2	122.8222	2.646	4	122.0251	10.607	9	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<4>,4|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	122.4930	0.000	1	121.5835	1.654	2	122.8222	2.646	4	122.0251	10.607	9	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{3|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	120.6740	0.000	1	121.5835	1.654	2	122.8222	2.646	4	122.0251	10.607	9	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	119.6450	0.000	1	119.6450	0.000	1	119.6450	0.000	1	122.0251	10.607	9	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	115.2940	0.000	1	115.2940	0.000	1	115.2940	0.000	1	122.0251	10.607	9	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:4:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO){3|C<4>,5|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:3:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|C<4>,2|N<3>,2|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	118.7810	0.000	1	118.7810	0.000	1	118.7810	0.000	1	118.7810	0.000	1	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:4:	3:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H){1|Fe<10>,2|C<3>,3|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H){2|C<3>,3|H<1>,4|C<4>}	118.3340	2.574	2	118.3340	6.625	2	118.3340	6.625	2	118.3340	6.625	2	119.2203	6.045	130	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:4:3:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	110.4520	0.000	1	115.6397	9.062	10	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:2:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5](N[5,5]C[5,5]C[5,6])(S[5]C[5])(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(S[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	115.6480	0.000	1	115.6397	9.062	10	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.5670	0.000	1	116.5670	0.000	1	116.7268	8.498	5	116.7268	8.498	5	115.6397	9.062	10	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	113.0250	0.000	1	113.0250	0.000	1	116.7268	8.498	5	116.7268	8.498	5	115.6397	9.062	10	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|S<4>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.8220	0.000	1	114.8220	0.000	1	116.7268	8.498	5	116.7268	8.498	5	115.6397	9.062	10	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	119.6100	0.085	2	119.6100	0.007	2	116.7268	8.498	5	116.7268	8.498	5	115.6397	9.062	10	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	112.4420	0.000	1	115.6397	9.062	10	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5]	4:4:4:	3:4:2:4:	3:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:	N[5,5]-3:C[5,6]-4:O[6]-2:C-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	C[5,6](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6,6]HH)(O[6]C[6,6])(CH3)	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<3>,4|C<4>,4|H<1>}	C[5,6](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6,6]HH)(O[6]C[6,6])(CH3){1|C<3>,3|H<1>,5|C<4>}	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	117.1105	0.442	2	117.1105	0.195	2	117.1105	0.195	2	117.1105	0.195	2	115.6397	9.062	10	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	3:3:3:3:	3:3:3:3:	N[5,5]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5])	C[5](N[5,5]C[5,5]N[5,5])(N[5]C[6a]C[5])(C[6a]C[6a]2)2	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5])	N[5,5](N[5,5]C[5,6a]C[5])(C[5,5]C[5,6a]3)(C[5]C[6a]2N[5]){11|C<3>,1|O<1>}	C[5](N[5,5]C[5,5]N[5,5])(N[5]C[6a]C[5])(C[6a]C[6a]2)2{10|C<3>,1|O<1>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])3(N[5,5]N[5,5]C[5]){1|N<3>,3|H<1>,9|C<3>}	124.2890	0.000	1	124.2890	0.000	1	124.2890	0.000	1	124.2890	0.000	1	124.2890	0.000	1	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5,6]	4:4:4:	3:4:3:1:	3:3:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H)	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H){1|C<4>,4|H<1>,7|C<3>}	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	116.8190	0.000	1	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:3:3:1:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	N[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|O<1>,2|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,4|H<1>,5|C<3>}	115.4750	0.000	1	115.4750	0.000	1	115.4750	0.000	1	115.4750	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]CH)(H)2{1|C<4>,1|N<3>,3|H<1>}	131.7960	0.000	1	131.7960	0.000	1	128.6894	6.171	9	128.6894	6.171	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{1|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|N<2>,2|C<4>,2|H<1>}	127.0130	0.000	1	128.3011	5.502	8	128.6894	6.171	9	128.6894	6.171	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{2|Zn<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	127.4135	0.262	2	128.3011	5.502	8	128.6894	6.171	9	128.6894	6.171	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{3|Zn<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|Zn<4>,1|C<4>,1|N<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{2|Zn<4>,1|C<4>,1|N<3>,2|H<1>}	129.2400	0.000	1	128.3011	5.502	8	128.6894	6.171	9	128.6894	6.171	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,2|H<1>}	131.9100	0.000	1	128.3011	5.502	8	128.6894	6.171	9	128.6894	6.171	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]N[5]2)(C[5]C[5]HH)2{5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<2>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	127.8063	3.207	3	128.3011	5.502	8	128.6894	6.171	9	128.6894	6.171	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:4:1:	3:4:1:1:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CC3)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<4>}	117.9890	0.000	1	117.9890	0.000	1	117.9890	0.000	1	117.9890	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:4:4:2:	3:4:1:1:	C[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:O-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CO)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5])(C[5]C[5]CO)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(OC){1|C<4>,2|H<1>,2|N<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|O<2>,3|C<4>}	126.7235	1.562	2	126.7235	2.440	2	126.7235	2.440	2	126.7235	2.440	2	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<2>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,3|C<3>}	117.1460	0.000	1	114.6070	5.080	3	114.6070	5.080	3	114.6070	5.080	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	113.3375	0.701	2	114.6070	5.080	3	114.6070	5.080	3	114.6070	5.080	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:4:4:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HN)(CCCH)(H){1|H<1>,1|O<1>,3|C<3>}	118.3490	0.000	1	118.3490	0.000	1	118.3490	0.000	1	118.3490	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:4:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(CCrCH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|O<1>,2|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]C)(CCrCH)(H){1|C<4>,1|H<1>,3|C<3>}	115.9570	0.000	1	115.9570	0.000	1	115.9570	0.000	1	115.9570	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	118.1265	0.039	2	117.4228	0.776	4	116.7938	1.638	9	116.7938	1.638	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.7190	0.588	2	117.4228	0.776	4	116.7938	1.638	9	116.7938	1.638	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CN)(H){1|Br<1>,1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.6370	0.000	1	117.6370	0.000	1	116.7938	1.638	9	116.7938	1.638	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	115.2560	0.000	1	116.1157	2.673	3	116.7938	1.638	9	116.7938	1.638	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	118.0010	0.000	1	116.1157	2.673	3	116.7938	1.638	9	116.7938	1.638	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.0900	0.000	1	116.1157	2.673	3	116.7938	1.638	9	116.7938	1.638	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<2>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.4690	0.000	1	115.4690	0.000	1	116.7938	1.638	9	116.7938	1.638	9	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:4:4:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CC){1|O<1>,3|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	117.8653	1.446	3	117.8653	2.090	3	117.8653	2.090	3	117.8653	2.090	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){2|C<4>,2|O<1>,5|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	114.7540	0.000	1	114.4268	0.055	5	114.4268	0.055	5	114.4268	0.055	5	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5,5]C[5]3)(C[6a]C[6a]2)(H){1|C<4>,2|O<1>,5|H<1>,6|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	114.3450	0.168	4	114.4268	0.055	5	114.4268	0.055	5	114.4268	0.055	5	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	3:4:4:1:	3:3:4:1:	C[5]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){3|C<4>,3|H<1>,4|C<3>}	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	114.7120	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	118.3820	0.000	1	118.3760	0.000	2	117.3860	1.376	4	117.3860	1.376	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	118.3700	0.000	1	118.3760	0.000	2	117.3860	1.376	4	117.3860	1.376	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:4:1:1:	C[5]-4:N[5,5]-3:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	116.3960	0.457	2	116.3960	0.209	2	117.3860	1.376	4	117.3860	1.376	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:2:1:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:N[5]-2:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<2>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5])(H){2|C<4>,3|H<1>,4|C<3>}	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:3:1:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,2|H<1>,6|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,3|H<1>,5|C<3>}	116.8040	0.000	1	116.5395	0.140	2	116.5395	0.140	2	115.9393	1.151	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:3:1:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|C<4>,4|C<3>,4|H<1>}	116.2750	0.000	1	116.5395	0.140	2	116.5395	0.140	2	115.9393	1.151	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:3:1:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(N[5,5]C[5]2){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HN)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5]Pt)(H){2|C<4>,3|H<1>,4|C<3>}	114.7390	0.000	1	114.7390	0.000	1	114.7390	0.000	1	115.9393	1.151	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){1|O<1>,4|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,3|H<1>,5|C<3>}	116.2515	0.095	2	116.2515	0.009	2	116.2515	0.009	2	116.2515	0.009	2	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:4:1:	C[5]-4:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2)	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)2(N[5,5]C[5]2){2|O<1>,3|H<1>,5|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<1>,3|H<1>,6|C<3>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	115.5640	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:3:2:1:	3:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	110.6300	0.000	1	110.6300	0.000	1	112.3585	5.975	2	112.3585	5.975	2	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:3:2:1:	3:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	114.0870	0.000	1	114.0870	0.000	1	112.3585	5.975	2	112.3585	5.975	2	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	114.7132	1.691	5	114.7132	2.860	5	114.7132	2.860	5	114.7132	2.860	5	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:3:4:1:	3:2:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	114.4580	0.000	1	114.4580	0.000	1	114.4580	0.000	1	114.4580	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:3:4:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	116.4360	0.000	1	116.4360	0.000	1	116.4360	0.000	1	116.4360	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	114.8970	0.000	1	114.8970	0.000	1	117.2765	11.324	2	117.2765	11.324	2	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	119.6560	0.000	1	119.6560	0.000	1	117.2765	11.324	2	117.2765	11.324	2	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:3:4:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	115.4310	0.000	1	116.3560	1.711	2	116.3560	1.711	2	116.3560	1.711	2	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:3:4:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.2810	0.000	1	116.3560	1.711	2	116.3560	1.711	2	116.3560	1.711	2	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:3:4:4:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:N[5]-3:C-4:C-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	116.2210	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH){1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<4>}	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	112.6250	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[3x5,6]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5]C[5]HH)2	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,6]C)(H)2	N[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5]C[5]HH)2{1|C<4>,3|H<1>,5|C<3>}	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	112.0210	0.000	1	112.0210	0.000	1	112.0210	0.000	1	113.6923	2.281	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,1|O<2>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)2{3|C<4>,3|H<1>}	114.5280	0.610	2	114.5280	0.372	2	114.5280	0.372	2	113.6923	2.281	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[3x5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]N[5,5]2H)(C[5]C[5]HH)2	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	N[5,5](C[3x5]N[5,5]2H)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	113.8970	0.317	3	113.8970	0.100	3	113.8970	0.100	3	113.8970	0.100	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:2:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH){3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	115.5120	1.409	2	115.5120	1.984	2	115.5120	1.984	2	115.5120	1.984	2	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:N[6a]-3:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	114.6260	0.000	1	114.6260	0.000	1	114.6260	0.000	1	114.6260	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	115.3820	0.000	1	115.3820	0.000	1	115.3820	0.000	1	116.1020	3.291	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	118.7300	0.000	1	118.7300	0.000	1	116.6590	8.578	2	116.1020	3.291	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,2|C<2>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	114.5880	0.000	1	114.5880	0.000	1	116.6590	8.578	2	116.1020	3.291	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	115.7080	0.000	1	115.7080	0.000	1	115.7080	0.000	1	116.1020	3.291	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C[5,5]-4:	N[5,5]-3:N[5]-4:C[6a]-3:H-1:	N[5,5]-3:N[5]-4:C[6a]-3:H-1:	N[5,5](C[5]C[6a]N[5]H)2(C[5,5]C[5]2C)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H)	N[5,5](C[5]C[6a]N[5]H)2(C[5,5]C[5]2C){1|Cu<5>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	109.9520	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	116.0880	0.000	1	116.0880	0.000	1	116.1933	2.138	7	116.1933	2.138	7	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|O<2>,7|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H){2|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	112.9540	0.000	1	112.9540	0.000	1	116.1933	2.138	7	116.1933	2.138	7	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){3|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	116.9123	0.108	4	116.9123	0.012	4	116.1933	2.138	7	116.1933	2.138	7	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>,4|O<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	116.6620	0.000	1	116.6620	0.000	1	116.1933	2.138	7	116.1933	2.138	7	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2{2|S<2>,3|H<1>,3|O<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H){2|H<1>,2|S<2>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	116.2990	0.369	2	116.2990	0.136	2	115.3162	1.378	4	115.3162	1.378	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2{8|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	114.5920	0.000	1	114.5920	0.000	1	115.3162	1.378	4	115.3162	1.378	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2{4|H<1>,4|O<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	114.0750	0.000	1	114.0750	0.000	1	115.3162	1.378	4	115.3162	1.378	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:4:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	C[3,5]-4:N[5,5]-3:H-1:H-1:	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH){3|O<2>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2{3|C<4>,3|H<1>}	114.6160	0.000	1	114.6160	0.000	1	114.6160	0.000	1	114.6160	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	3:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:C-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(COO)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	118.3700	0.000	1	118.3700	0.000	1	118.3700	0.000	1	118.3700	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:2:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH){4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	114.7635	0.221	2	114.7635	0.049	2	114.7635	0.049	2	114.7635	0.049	2	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CC[6a]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CC[6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.8780	0.000	1	116.8780	0.000	1	116.8780	0.000	1	113.8870	2.603	10	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	111.4020	0.000	1	112.5710	1.492	3	112.5710	1.492	3	113.8870	2.603	10	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	113.8390	0.000	1	112.5710	1.492	3	112.5710	1.492	3	113.8870	2.603	10	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	112.4720	0.000	1	112.5710	1.492	3	112.5710	1.492	3	113.8870	2.603	10	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	114.4952	0.869	4	114.4952	0.756	4	114.4952	0.756	4	113.8870	2.603	10	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	114.0050	0.000	1	114.0050	0.000	1	113.1490	1.465	2	113.8870	2.603	10	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.2930	0.000	1	112.2930	0.000	1	113.1490	1.465	2	113.8870	2.603	10	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H)	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C){4|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|C<4>,2|N<3>,3|H<1>,4|C<3>}	112.9350	0.000	1	112.9350	0.000	1	115.0040	8.562	2	116.3757	9.925	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C){2|O<2>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	117.0730	0.000	1	117.0730	0.000	1	115.0040	8.562	2	116.3757	9.925	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C){1|S<2>,4|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	119.1190	0.000	1	119.1190	0.000	1	119.1190	0.000	1	116.3757	9.925	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH){4|H<1>,4|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	117.5240	0.000	1	117.5240	0.000	1	117.5240	0.000	1	117.5240	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:4:3:	3:2:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C-4:C-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]S[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]S[5]HH){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	122.1393	0.520	3	122.1393	0.271	3	121.9955	0.263	4	121.9955	0.263	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:4:3:	3:2:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C-4:C-3:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CC)(C[5]S[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(CCHH)(COO)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CC)(C[5]S[5]HH){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	121.5640	0.000	1	121.5640	0.000	1	121.9955	0.263	4	121.9955	0.263	4	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	4:4:4:	4:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C-4:C-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	121.8930	5.048	3	121.8930	25.479	3	121.8930	25.479	3	121.8930	25.479	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	5:4:4:	3:3:1:1:	3:3:1:1:	P[5,5]-5:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](P[5,5]C[6a]O[5]2P)(C[5]C[5]HH)2	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]O)(H)2	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]O)(H)2	N[5,5](P[5,5]C[6a]O[5]2P)(C[5]C[5]HH)2{2|C<3>,2|O<1>}	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]O)(H)2{1|O<2>,1|P<3>,2|C<3>,2|H<1>}	C[5](N[5,5]P[5,5]C[5])(C[5]O[5]O)(H)2{1|O<2>,1|P<3>,2|C<3>,2|H<1>}	120.9050	0.669	3	120.9050	0.448	3	120.9050	0.448	3	120.9050	0.448	3	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	6:4:4:	3:3:1:1:	3:4:1:1:	Ga[5x5]-6:C[5]-4:C[5]-4:	C[5,6]-3:N[5,5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH)	C[5](C[5,6]N[5,5,6]C[6])(N[5,5]Ga[5x5]C[5])(H)2	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2	N[5,5](Ga[5x5]N[5,5,6]2N[5,5]O[5]2)(C[5]C[5,6]HH)(C[5]C[5]HH){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5,6]N[5,5,6]C[6])(N[5,5]Ga[5x5]C[5])(H)2{1|C<4>,1|N<3>,1|N<4>,2|C<3>,2|O<2>,3|H<1>}	C[5](N[5,5]Ga[5x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,2|N<3>,2|O<2>,3|H<1>}	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	117.1790	20.368	116	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	3:4:4:	3:4:3:1:	3:3:4:1:	N[5,5,6]-3:C[5,5]-4:C[5,6]-4:	N[5,6]-3:C[5,5]-4:C[5]-3:H-1:	N[5,6]-3:C[5,6]-3:C[5]-4:H-1:	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H)	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H)	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H)	N[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[5]H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](N[5,6]N[5,5,6]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[5,6](N[5,6]N[5,5,6]C[5,5])(C[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,3|C<4>,6|H<1>}	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	117.5420	0.000	1	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:4:4:2:	4:3:1:1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5,6]-4:O[5]-2:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5])	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH){1|O<2>,6|H<1>,7|C<4>}	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2{1|O<2>,2|H<1>,5|C<4>}	123.0070	0.652	2	123.0070	0.425	2	123.0070	0.425	2	123.0070	0.425	2	123.0070	0.425	2	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H){1|O<1>,1|O<2>,3|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[5,6]C[5,6]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H){2|C<4>,4|C<3>,5|H<1>}	115.8270	0.000	1	115.8270	0.000	1	115.8270	0.000	1	115.8270	0.000	1	115.8270	0.000	1	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:2:4:1:	3:4:1:1:	C[5,6]-4:C[5,6]-3:C[5]-4:	N[5,6]-3:O[5,6]-2:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH)	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2	N[5,6](C[5,6]O[5,6]C[5]H)(C[5,6]C[6]N[5])(C[5]C[5]HH){1|N<3>,3|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(O[5,6]C[5,6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5,6]C[5,6]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	125.4630	0.000	1	125.4630	0.000	1	125.4630	0.000	1	125.4630	0.000	1	117.3910	4.704	28	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	4:3:3:3:	3:4:3:1:	C[5,6]-4:N[5,6]-3:C[5]-4:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH)	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O)	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,5]C[6])(C[5]C[5]CH){1|O<1>,1|S<1>,2|H<1>,2|N<3>,6|C<3>}	C[5,6](C[5,6]C[5,6a]C[5]N[6])(C[5,6a]C[5,6a]C[6a])(N[5,6]N[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,3|H<1>,6|C<3>}	C[5](N[5,6]C[5,6]N[5,6])(C[5]C[5,5]HH)(CCH)(H){1|C<4>,5|C<3>}	117.2590	0.000	1	117.2590	0.000	1	117.2590	0.000	1	117.2590	0.000	1	117.3910	4.704	28	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	119.3642	0.803	5	119.3642	0.645	5	119.3642	0.645	5	119.3642	0.645	5	117.3910	4.704	28	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:2:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	116.5076	2.170	5	116.5076	4.710	5	116.5076	4.710	5	116.5076	4.710	5	117.3910	4.704	28	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:2:1:	4:3:3:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	C[5]-4:N[5,6]-3:C-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	115.4860	0.000	1	117.3910	4.704	28	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|O<1>,4|C<4>,4|H<1>,6|C<3>}	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	116.7382	0.248	4	116.7382	0.062	4	116.6253	0.331	15	116.6253	0.331	15	117.3910	4.704	28	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	116.5983	0.704	6	116.5843	0.437	11	116.6253	0.331	15	116.6253	0.331	15	117.3910	4.704	28	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	116.5674	0.689	5	116.5843	0.437	11	116.6253	0.331	15	116.6253	0.331	15	117.3910	4.704	28	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:4:	4:3:3:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]C[6a]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]C[6a]H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>,3|C<4>}	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[5]-4:	C[3,5,6]-4:C[5,6,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[3,5,6]C[5,6,6]H)(C[5]C[5]HH)2	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[5,6]C[3,5,6]C[5,6,6]H)(C[5]C[5]HH)2{1|C<3>,3|C<4>,6|H<1>}	C[5,6](C[3,5,6]C[3,5,6]C[3,6,6]H)(C[5,6,6]C[6,6,6a]C[5,6]H)(N[5]C[5]2)(H){2|C<3>,3|C<4>,7|H<1>}	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	112.3230	0.963	2	112.3230	0.928	2	112.3230	0.928	2	112.3230	0.928	2	114.1945	5.230	4	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[5]-4:C[6]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(N[5]C[5]2)	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2{2|C<3>,2|C<4>,8|H<1>}	C[5,6](C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,3|C<4>,8|H<1>}	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	116.0660	0.867	2	116.0660	0.752	2	116.0660	0.752	2	116.0660	0.752	2	114.1945	5.230	4	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:2:1:	3:4:4:3:	C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:C[5]-4:C-4:C-3:	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CC)(O[5]C[5])	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	C[5](N[5]C[5]O[5])(C[5]C[5]HH)(CCHH)(COO)	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CC)(O[5]C[5]){2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5](N[5]C[5]O[5])(C[5]C[5]HH)(CCHH)(COO){1|C<4>,2|H<1>,2|O<2>}	119.9260	0.000	1	119.9260	0.000	1	119.9260	0.000	1	119.9260	0.000	1	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:2:1:	4:3:1:1:	C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5])	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]O[5])(H)2	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]HH)(O[5]C[5,5]){1|C<3>,2|H<1>,2|O<2>,3|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,4|C<4>,4|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5]O[5])(H)2{1|C<3>,1|C<4>,1|H<1>,2|O<2>}	114.5010	0.000	1	114.5010	0.000	1	114.5010	0.000	1	114.5010	0.000	1	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:O[5]-2:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5])	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H)	N[5](C[5]C[5,5]O[5]H)(C[5]C[5]CH)(O[5]C[5,5]){1|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O[5])(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	C[5](C[5]C[5,5]HH)(N[5]C[5]O[5])(CCHH)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:3:	3:4:1:1:	C[5]-4:C[5]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[5]-3:N-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5,6a]C[5]N)(C[5]C[5]HH)(N[5]C[5]C){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(NC[6a]C){3|C<3>,3|C<4>,3|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	113.9170	0.000	1	113.9170	0.000	1	113.9170	0.000	1	113.9170	0.000	1	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:4:	3:4:1:1:	C[5]-4:C[5]-4:N[5]-3:	C[5,6a]-3:N[5]-3:C[5]-3:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5,6a]C[5]C)(C[5]C[5]HH)(N[5]C[5]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N[5])(C[5]N[5]O)(CCFF){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,2|C<3>}	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	113.7520	0.000	1	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(C[5]O[5]O)	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(N[5]C[5]2)(H)	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(C[5]O[5]O){1|H<1>,1|O<1>,2|C<4>,5|C<3>}	C[5](C[5]C[6a]C[5]C)(C[5]C[5]O)(N[5]C[5]2)(H){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(N[5]C[5]2)(H){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	126.2640	0.000	1	126.2640	0.000	1	126.2640	0.000	1	126.2640	0.000	1	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){2|C<4>,5|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{3|C<3>,4|H<1>}	115.9005	0.035	2	115.9005	0.001	2	115.9005	0.001	2	115.9005	0.001	2	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:4:3:1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[5]N[5]O)(N[5]C[5]2)(COO)(H)	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]2)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|N<3>,3|C<3>,6|H<1>}	116.0730	0.000	1	116.0730	0.000	1	116.0730	0.000	1	116.0000	0.011	2	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:4:3:1:	C[5]-4:C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)2(N[5]C[5]2)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	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[5](C[5]C[5]HH)2(N[5]C[5]2)(H){1|N<3>,3|C<3>,6|H<1>}	115.9270	0.000	1	115.9270	0.000	1	115.9270	0.000	1	116.0000	0.011	2	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:3:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	115.7200	0.000	1	115.7200	0.000	1	117.0380	1.337	3	117.0380	1.337	3	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:3:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	117.5110	0.000	1	117.5110	0.000	1	117.0380	1.337	3	117.0380	1.337	3	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:3:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|F<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2{1|F<1>,2|H<1>,4|C<3>}	117.8830	0.000	1	117.8830	0.000	1	117.0380	1.337	3	117.0380	1.337	3	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:3:	4:3:3:1:	C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H)	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	114.1470	0.000	1	114.5135	0.269	2	114.7300	0.275	3	114.7300	0.275	3	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:3:	4:3:3:1:	C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H)	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	114.8800	0.000	1	114.5135	0.269	2	114.7300	0.275	3	114.7300	0.275	3	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:3:	4:3:3:1:	C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2)	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H)	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|F<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(N[5]C[5]2){2|C<4>,7|C<3>,7|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H){1|O<2>,3|C<3>,3|H<1>}	115.1630	0.000	1	115.1630	0.000	1	114.7300	0.275	3	114.7300	0.275	3	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|N<2>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){2|C<4>,5|C<3>,5|H<1>}	115.5440	0.000	1	116.8610	3.469	2	116.8610	3.469	2	116.8610	3.469	2	116.2887	9.594	18	118.2090	13.964	340
542	474	474	0:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5,6a]-3:C[5,6a]-3:N[5]-3:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){2|N<2>,3|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])2(N[5]C[5]2)(H){2|C<4>,5|C<3>,5|H<1>}	118.1780	0.000	1	116.8610	3.469	2	116.8610	3.469	2	116.8610	3.469	2	116.2887	9.594	18	118.2090	13.964	340
542	474	474	5:SP2_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:3:4:	3:4:2:2:	3:4:1:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	117.1380	0.000	1	117.1380	0.000	1	116.7690	0.272	2	116.7690	0.272	2	116.9665	3.514	10	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:3:4:	3:4:2:2:	3:4:1:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(S[5]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]HN)(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	116.4000	0.000	1	116.4000	0.000	1	116.7690	0.272	2	116.7690	0.272	2	116.9665	3.514	10	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:3:4:	4:3:2:2:	3:3:4:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	N[5,5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[6a]C[5]H)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H)	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[6a]C[5]H){1|S<2>,2|H<1>,5|C<3>}	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[6a]C[6a]2)(C[5]S[5]HH)(H){1|O<1>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	116.9665	3.514	10	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:3:4:	4:3:2:2:	3:4:1:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	116.4200	0.963	2	116.4200	0.928	2	116.4200	0.928	2	116.5277	0.499	3	116.9665	3.514	10	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:3:4:	4:3:2:2:	3:4:1:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|S<2>,2|H<1>,3|C<3>}	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	116.7430	0.000	1	116.7430	0.000	1	116.7430	0.000	1	116.5277	0.499	3	116.9665	3.514	10	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:3:4:	4:3:2:2:	3:4:4:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	N[5,5,6]-3:C[5]-4:C-4:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H)	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH){1|C<4>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|N<3>,2|C<3>,2|O<1>,4|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H){1|O<1>,1|S<2>,2|C<4>}	117.3235	0.487	2	117.3235	0.237	2	117.3235	0.237	2	118.0827	1.848	3	116.9665	3.514	10	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:3:4:	4:3:2:2:	3:4:4:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	N[5,5,6]-3:C[5]-4:C-4:H-1:	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH)	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H)	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH){1|S<2>,2|H<1>,3|C<3>}	C[3x5,6](C[5,6]S[5,6]C[6a]C)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(CCCH)(H){1|O<1>,1|S<2>,2|C<4>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	118.0827	1.848	3	116.9665	3.514	10	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:3:4:	4:3:2:3:	3:3:4:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:N[5]-3:	N[5,5,6]-3:C[5]-3:C-4:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]N[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(N[5]C[6a]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H)	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]N[5])(C[5,6]C[5,5,6]O)(C[5]C[5]CH){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(N[5]C[6a]C[5]){1|C<4>,1|N<3>,2|H<1>,3|O<1>,4|C<3>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]N[5]O)(CCHH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>}	112.9130	0.000	1	112.9130	0.000	1	112.9130	0.000	1	112.9130	0.000	1	116.9665	3.514	10	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:3:3:1:	3:4:3:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	112.5520	0.000	1	111.0880	3.702	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:3:4:4:	3:4:1:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)	C[3x5](C[5,5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)2	C[5](N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O){2|C<4>,7|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)2{1|O<1>,1|O<2>,7|H<1>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	110.9940	0.000	1	110.9940	0.000	1	110.9940	0.000	1	110.9940	0.000	1	111.0880	3.702	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|O<2>,4|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|C<3>,1|O<2>,2|O<1>,4|H<1>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	111.0880	3.702	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:4:3:2:	4:3:4:4:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,6]-4:N[5,5]-3:C-4:C-4:	N[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]C[5,6]CC)(C[5]C[5]O)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2	N[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]C[5,6]CC)(C[5]C[5]O){2|C<4>,3|H<1>,3|O<2>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	108.4010	0.000	1	111.0880	3.702	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(C[6a]C[6a]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(C[6a]C[6a]2){2|H<1>,6|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H){2|H<1>,5|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C[6a])(C[5,6]C[5,6]C)(H){2|H<1>,5|C<3>}	94.1670	0.000	1	94.1670	0.000	1	94.1670	0.000	1	94.1670	0.000	1	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|P<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	97.6065	0.000	1	97.6065	0.000	1	97.6065	0.000	1	97.6065	0.000	1	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2){2|C<3>,6|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	100.3807	0.301	3	100.3807	0.090	3	100.3807	0.090	3	100.3807	0.090	3	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]H)2(COO){1|C<4>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H){3|C<3>,4|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]C[3]H)(N[5,5]C[5,5,6]C)(H){3|C<3>,4|H<1>}	97.5189	0.000	1	97.5189	0.000	1	97.5189	0.000	1	96.6326	1.571	2	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(C[6a]C[6a]2)	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[6a])(H)	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[6a])(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)2(C[6a]C[6a]2){4|H<1>,6|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[6a])(H){1|N<3>,1|O<1>,3|H<1>,5|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[6a])(H){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	95.7463	0.000	1	95.7463	0.000	1	95.7463	0.000	1	96.6326	1.571	2	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:3:3:	3:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:C-3:	C[5,6,6a]-3:C[3,5,6]-4:N[5,5]-3:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(CCO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[3,5,6]C)(C[5,5,6]C[5,6,6a]C[3,5,6]H)(CC[6a]O){1|O<2>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(CCO){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[3,5,6]C[3,5,6]O[3]H)(N[5,5]C[5,5,6]C)(H){2|H<1>,3|C<3>}	97.1980	0.000	1	97.1980	0.000	1	97.1980	0.000	1	97.1980	0.000	1	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:Br-1:	N[5,5](C[5,5,6]C[5,6]2Br)(C[5,5,6]C[5,6]2H)(CCO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(Br)	N[5,5](C[5,5,6]C[5,6]2Br)(C[5,5,6]C[5,6]2H)(CCO){1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Br<1>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(Br){1|C<3>,4|H<1>}	95.5213	0.000	1	95.5213	0.000	1	95.5213	0.000	1	97.4958	0.745	9	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]O){8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	97.3443	0.310	2	97.3443	0.096	2	97.7427	0.225	8	97.4958	0.745	9	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S){8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	97.9678	0.448	5	97.9678	0.200	5	97.7427	0.225	8	97.4958	0.745	9	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(COO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(COO){1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,4|H<1>}	97.4137	0.000	1	97.4137	0.000	1	97.7427	0.225	8	97.4958	0.745	9	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O){1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO){1|C<3>,4|H<1>}	98.2252	0.000	1	98.2252	0.000	1	97.6690	0.619	2	97.6690	0.619	2	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO){1|C<3>,4|H<1>}	97.1128	0.000	1	97.1128	0.000	1	97.6690	0.619	2	97.6690	0.619	2	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O){1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	97.8844	0.049	2	97.8844	0.002	2	97.8844	0.002	2	97.8844	0.002	2	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6]-4:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O)	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CH3)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O){1|Br<1>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CH3){1|Br<1>,4|H<1>}	97.5982	0.000	1	97.5982	0.000	1	97.5982	0.000	1	97.5982	0.000	1	97.7066	2.160	22	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5]	4:4:2:	4:4:3:1:	3:2:3:4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){1|N<3>,2|C<4>,2|H<1>}	104.5510	0.134	2	104.6653	0.048	3	104.6653	0.048	3	104.6653	0.048	3	104.6653	0.048	3	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5]	4:4:2:	4:4:3:1:	3:2:3:4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){2|H<1>,3|C<4>}	104.8940	0.000	1	104.6653	0.048	3	104.6653	0.048	3	104.6653	0.048	3	104.6653	0.048	3	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:3:4:	4:3:4:4:	3:4:1:1:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH)	C[5,5,6](C[5,6]C[5,6]HH)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HN)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5,6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,8|H<1>}	C[5,5,6](C[5,6]C[5,6]HH)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,1|O<1>,6|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HN)(H)2{1|O<1>,2|H<1>,3|C<4>}	115.3490	0.000	1	115.3490	0.000	1	111.2725	33.236	2	111.2725	33.236	2	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:3:4:	4:3:4:4:	3:4:1:1:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	107.1960	0.000	1	107.1960	0.000	1	111.2725	33.236	2	111.2725	33.236	2	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	3:3:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-3:N[5,5]-3:C[5]-3:C[6]-3:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]H)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6])(N[5,5]C[5]2)(C[5]C[5]H)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,6|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]H)(H)2{1|H<1>,1|O<1>,3|C<3>}	110.7740	0.000	1	110.7740	0.000	1	110.7740	0.000	1	110.7740	0.000	1	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:3:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:C[6a]-3:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	111.2890	0.000	1	111.3550	0.009	2	111.3550	0.009	2	111.3550	0.009	2	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:3:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:C[6a]-3:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[6a]C[5]H)(C[5]C[5]N){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(C[6a]C[6a]2)(H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	111.4210	0.000	1	111.3550	0.009	2	111.3550	0.009	2	111.3550	0.009	2	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	110.2370	0.000	1	110.3883	1.615	3	110.3883	1.615	3	110.3883	1.615	3	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	110.4640	1.788	2	110.3883	1.615	3	110.3883	1.615	3	110.3883	1.615	3	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	111.1170	0.000	1	111.1170	0.000	1	111.5905	0.448	2	111.5905	0.448	2	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N)	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]CH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](C[5,6]C[6,6]C[5]H)(N[5,6]C[6,6a]C[5])(N[5,5]C[5]2)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CH3)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	112.0640	0.000	1	112.0640	0.000	1	111.5905	0.448	2	111.5905	0.448	2	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	112.2100	0.000	1	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5,5,6](C[5,6]C[5]C[6]O)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|O<2>,3|C<3>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]O)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	4:4:3:1:	3:4:4:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H)	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,7|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(CHHO)(H){1|H<1>,1|O<1>,4|C<4>}	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	112.8710	0.000	1	111.2406	3.417	14	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:3:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:2:	C[5,6]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[6]-4:C[6]-4:O[5]-2:	N[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2H)(C[5]C[5]O)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]C[5])	N[5,5](C[5,6]C[6]2O[5])(C[5,5]C[5]2H)(C[5]C[5]O){3|C<4>,9|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[6]C[6]HH)2(O[5]C[5]){1|O<1>,3|C<4>,7|H<1>}	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	112.3360	0.000	1	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:2:4:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:O[5]-2:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(O[5]C[5,6a])(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	107.5310	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:3:4:1:	3:4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:N-3:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]HN){1|Cl<1>,2|H<1>,2|N<2>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(NCH)(H){1|H<1>,1|N<3>,4|C<3>}	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH){2|C<3>,4|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	107.2055	3.501	2	107.2055	12.256	2	107.2055	12.256	2	107.2055	12.256	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	4:3:2:1:	3:4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|S<2>,4|C<3>}	109.2950	0.057	2	109.2950	0.003	2	109.2950	0.003	2	109.2950	0.003	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	4:3:3:2:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	N[5,5]-3:C[3,5]-4:H-1:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	110.2900	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:2:4:	3:3:4:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[6a]-3:S[5]-2:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH){5|C<3>,5|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	111.4530	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[5a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	111.3200	0.000	1	111.3200	0.000	1	111.3200	0.000	1	111.3200	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:2:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C-4:O[5]-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5]C[5,6a]O)(C[5]C[5]HH){2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(CC[5a]HH)(O[5]C[5]){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>}	109.1290	0.000	1	109.1290	0.000	1	109.1290	0.000	1	110.8565	5.969	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:2:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	110.8565	5.969	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:3:	3:2:4:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH)	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.5390	0.000	1	109.5390	0.000	1	109.5390	0.000	1	112.8810	22.338	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:3:	3:2:4:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:S[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]S[5]CH)	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]S[5]CH){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	116.2230	0.000	1	116.2230	0.000	1	116.2230	0.000	1	112.8810	22.338	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]HH)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	113.2455	0.252	2	113.2455	0.064	2	113.2455	0.064	2	113.2455	0.064	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	4:3:4:1:	3:4:4:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H)	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<4>,3|H<1>}	113.1900	0.104	3	113.1900	0.011	3	113.1900	0.011	3	113.1900	0.011	3	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	4:3:4:2:	3:4:1:1:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-4:O-2:	N[5,5]-3:C[3,5]-4:H-1:H-1:	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	113.0220	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	4:3:4:3:	3:2:4:3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:C-3:	N[5,5](C[5,5]C[5]2C)(C[5]C[5,5]O)(C[5]O[5]CC)	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,5]O)(C[5]O[5]CC){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5]C[5,5]HH)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.8575	0.969	2	111.8575	0.940	2	111.8575	0.940	2	111.8575	0.940	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	6:3:3:2:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[3x3,3x5,12x6]-6:C[5,6a]-3:N[5,5]-3:O[5]-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[3x3,3x5,12x6]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,5](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(O[5]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	N[5,5](C[5,5]C[3x3,3x5,12x6]C[5,6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]HH){1|Co<10>,1|C<6>,2|C<3>,2|H<1>,3|B<6>}	C[5,5](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]Co)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(O[5]C[5]){1|O<1>,2|C<3>,5|B<6>,9|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<6>,1|O<1>,2|C<3>}	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:3:2:4:	3:4:4:4:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	105.0780	0.000	1	105.0230	0.006	2	105.0230	0.006	2	105.0230	0.006	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:3:2:4:	3:4:4:4:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|N<3>,2|H<1>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){1|N<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	104.9680	0.000	1	105.0230	0.006	2	105.0230	0.006	2	105.0230	0.006	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:3:3:1:	3:4:4:4:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:N[5]-3:N[5]-3:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5])	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H)	C[5](N[5,5]C[5,5]O[5])(C[5]N[5]CC)(CH3)2	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H){1|N<3>,4|C<4>}	C[5](N[5,5]C[5,5]O[5])(C[5]N[5]CC)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	105.7307	0.795	3	105.7307	0.631	3	105.7307	0.631	3	105.7307	0.631	3	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:4:3:1:	3:4:4:4:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5])	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(CH3)2	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5]){1|Pd<4>,1|C<3>,4|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|N<3>,3|H<1>}	108.2730	0.000	1	107.1000	2.752	2	107.1000	2.752	2	107.1000	2.752	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:4:3:1:	3:4:4:4:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5])	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(CH3)2	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(O[5]C[5]){1|Pd<4>,1|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)(N[5]C[5]Pd)(H){2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(CH3)2{1|C<3>,1|N<3>,3|H<1>}	105.9270	0.000	1	107.1000	2.752	2	107.1000	2.752	2	107.1000	2.752	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	4:4:3:1:	3:3:4:1:	C[5]-4:C[5,5]-4:N[5]-2:	C[5]-4:C[5]-4:N[5,5]-3:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(N[5]C[5])	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H)	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(N[5]C[5]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[6a]C[5]O)(N[5,5]C[5]N[5])(H){1|C<4>,2|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	109.9310	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:2:	3:3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<2>,3|C<3>,6|H<1>}	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]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>}	110.5440	1.714	2	110.5440	2.938	2	110.5440	2.938	2	110.5440	2.938	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:2:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,6|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,2|C<3>,8|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>}	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]CH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.4160	0.208	2	110.4160	0.043	2	110.1380	0.118	4	110.1380	0.118	4	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	109.8600	0.031	2	109.8600	0.001	2	110.1380	0.118	4	110.1380	0.118	4	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:2:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:S[5]-2:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(S[5]C[5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]S[5]H)(C[5]C[5]CH)(C[5]C[5]O){1|C<4>,1|N<3>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(S[5]C[5])(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	114.6600	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:2:4:	3:3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHHS)(H)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|O<1>,1|O<2>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<4>,1|H<1>,2|O<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CHHS)(H){1|O<1>,1|O<2>,2|C<4>}	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	110.2360	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:2:4:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|O<1>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>}	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	108.3100	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:2:4:	3:4:4:3:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-4:C-3:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)(COO)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)(COO){1|O<1>,1|O<2>,2|C<4>}	108.2390	0.000	1	108.2390	0.000	1	109.5780	3.586	2	109.5780	3.586	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:2:4:	3:4:4:3:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-4:C-3:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)(COO)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)(COO){1|O<1>,1|O<2>,2|C<4>}	110.9170	0.000	1	110.9170	0.000	1	109.5780	3.586	2	109.5780	3.586	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(H)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CCl3)(H){1|H<1>,2|C<4>,2|O<1>}	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	110.5870	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|O<1>,1|S<3>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]O)(H){1|O<1>,1|S<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<4>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O)(COO){1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	108.7970	0.000	1	108.7970	0.000	1	108.8955	0.019	2	108.8955	0.019	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(COO){1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	108.9940	0.000	1	108.9940	0.000	1	108.8955	0.019	2	108.8955	0.019	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	N[5,5]-3:S[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|O<2>,2|O<1>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,3|O<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(C[5]C[5]O){1|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|C<4>,3|H<1>}	109.9710	0.095	2	109.9710	0.009	2	109.9710	0.009	2	109.9710	0.009	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:2:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:O[5]-2:C-4:C-4:	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){1|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	112.1350	0.000	1	112.1350	0.000	1	111.8015	0.222	2	111.8015	0.222	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:2:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:O[5]-2:C-4:C-4:	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<4>,3|H<1>}	111.4680	0.000	1	111.4680	0.000	1	111.8015	0.222	2	111.8015	0.222	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,7|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	112.8550	0.000	1	112.8550	0.000	1	112.1806	3.103	5	112.1806	3.103	5	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,2|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.8390	2.192	2	112.5743	4.025	3	112.1806	3.103	5	112.1806	3.103	5	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|O<2>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,3|H<1>}	114.0450	0.000	1	112.5743	4.025	3	112.1806	3.103	5	112.1806	3.103	5	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]N)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]N){2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|N<2>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|C<4>,1|N<2>,1|O<2>,3|H<1>}	110.3250	0.000	1	110.3250	0.000	1	112.1806	3.103	5	112.1806	3.103	5	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:2:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-2:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O){2|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]O[5]HH)(H){1|C<2>,1|O<1>,1|O<2>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CN)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>}	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.4980	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|N<3>,7|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	113.9060	0.000	1	113.9060	0.000	1	113.9060	0.000	1	113.9060	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.2240	0.000	1	111.0015	1.209	2	111.0015	1.209	2	111.0015	1.209	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.7790	0.000	1	111.0015	1.209	2	111.0015	1.209	2	111.0015	1.209	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:3:	3:2:4:3:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:C-3:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.8740	0.000	1	111.8740	0.000	1	112.0955	0.098	2	112.0955	0.098	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:3:	3:2:4:3:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:C-3:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CC)(C[5]C[5]O){1|C<3>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)(CCO){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.3170	0.000	1	112.3170	0.000	1	112.0955	0.098	2	112.0955	0.098	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:3:2:	4:3:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,6,6]-4:C[5,6a]-3:N[5,5]-3:O-2:	C[5,3x6]-4:N[5,5]-3:H-1:H-1:	N[5,5](C[5,5]C[5,6,6]C[5,6a]O)(C[5]C[5,3x6]HH)(C[5]C[5,6a]O)	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[5,6,6]C[5,6a]O)(C[5]C[5,3x6]HH)(C[5]C[5,6a]O){1|H<1>,2|C<3>,3|C<4>}	C[5,5](C[5,6,6]C[5,3x6]C[3x6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(OH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5,5]C[5,5]C[5])(H)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,5|H<1>}	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.4970	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:3:2:	4:3:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	C[5,6]-4:N[5,5]-3:C-4:C-4:	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]H)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC)	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	111.8720	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:1:	3:3:2:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5,5]O)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]O[5]H)(C[5]C[5,5]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	108.5770	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|O<2>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	113.6630	0.000	1	113.6630	0.000	1	111.0170	14.003	2	111.0170	14.003	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,5|H<1>}	C[5,5](C[5]C[5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	108.3710	0.000	1	108.3710	0.000	1	111.0170	14.003	2	111.0170	14.003	2	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]H)	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]N[5]H){2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]C)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<2>,4|H<1>}	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	109.6740	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]HH)(C[5]O[5]O){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(H)2{2|C<4>,2|H<1>,2|O<1>,2|O<2>}	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	109.8030	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH)	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH){2|C<4>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,3|H<1>}	115.7510	0.000	1	115.7510	0.000	1	115.7510	0.000	1	115.7510	0.000	1	110.5482	6.667	71	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:4:3:	3:3:4:1:	3:4:3:4:	C[5,6]-4:C[5,5]-4:C[5]-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C-4:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2C)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]N[5]O)(CH3)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2C)(C[5]N[5]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]N[5]O)(CH3){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	109.0800	0.000	1	110.3820	3.390	2	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:4:3:	3:4:4:1:	3:4:3:3:	C[5,6]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	N[5,5]-3:C[5]-4:C[6a]-3:C[5]-3:	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[6a]C[5]2)(C[5]N[5]O)	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]N[5]O)	N[5,5](C[5,6]C[5,6]C[6]H)(C[5,5]C[6a]C[5]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]2)(C[5]N[5]O){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	111.6840	0.000	1	111.6840	0.000	1	111.6840	0.000	1	111.6840	0.000	1	110.3820	3.390	2	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	3:4:1:1:	3:4:4:1:	C[5]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH){4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){2|H<1>,4|C<3>}	109.9295	0.124	2	109.9295	0.015	2	109.9295	0.015	2	109.9295	0.015	2	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	3:4:3:1:	3:3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	109.9740	0.000	1	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	4:3:3:1:	4:3:2:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|O<2>,3|H<1>,5|C<3>}	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:2:	3:4:4:4:	3:3:3:1:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5]-3:N[5]-3:N[5]-3:H-1:	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5])	C[5](N[5,5]C[5,5]O[5])(C[5]N[5]CC)(CH3)2	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H)	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]O[5])(C[5]N[5]CC)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H){5|C<4>}	105.5895	0.722	2	105.5895	0.521	2	105.5895	0.521	2	105.5895	0.521	2	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:2:4:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:S[5]-2:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]S[5]CH)(C[5]N[5]S)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CH3)(H)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H)	N[5,5](C[5,5]C[5]2H)(C[5]S[5]CH)(C[5]N[5]S){1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CH3)(H){1|C<3>,1|N<3>,1|S<1>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]N[5]O)(H){1|H<1>,1|S<1>,2|C<4>}	113.4340	0.000	1	113.4340	0.000	1	113.4340	0.000	1	113.4340	0.000	1	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:2:1:	3:4:3:1:	C[5]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H){1|C<3>,1|O<1>,2|H<1>}	110.6000	0.000	1	110.6000	0.000	1	109.4330	2.724	2	111.9013	19.640	3	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:2:1:	3:4:3:1:	C[5]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	108.2660	0.000	1	108.2660	0.000	1	109.4330	2.724	2	111.9013	19.640	3	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:2:1:	3:4:3:1:	C[5]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5]C[6a]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H)	N[5,5](C[5]C[6a]S[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(H){1|H<1>,1|O<1>,2|C<3>}	116.8380	0.000	1	116.8380	0.000	1	116.8380	0.000	1	111.9013	19.640	3	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:2:1:	3:4:4:1:	C[5]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	113.3120	0.000	1	110.5800	5.846	3	110.5800	5.846	3	110.5800	5.846	3	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:2:1:	3:4:4:1:	C[5]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	109.2140	0.704	2	110.5800	5.846	3	110.5800	5.846	3	110.5800	5.846	3	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:4:1:	3:3:2:4:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:O[5]-2:C-4:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O){1|O<2>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]O)(O[5]C[5])(CH3){1|C<3>,1|O<1>,4|H<1>}	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:4:1:	3:3:4:2:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]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[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,7|H<1>}	109.1525	0.224	2	109.1525	0.050	2	109.1525	0.050	2	109.1525	0.050	2	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:4:1:	3:4:2:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]O){4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]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[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){1|O<1>,3|C<3>,3|H<1>}	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	108.8720	0.000	1	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:4:1:	4:3:4:3:	C[5]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(COO)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2C)(C[5]C[5]O){4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(COO){1|O<1>,4|C<3>,4|H<1>}	113.6955	0.264	2	113.6955	0.070	2	113.6955	0.070	2	113.6955	0.070	2	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H){1|O<1>,4|H<1>}	111.5105	0.685	4	111.5105	0.469	4	111.5105	0.469	4	111.5105	0.469	4	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<3>,1|O<1>,4|H<1>}	112.5540	0.000	1	112.9925	0.385	2	112.3437	2.255	6	112.3437	2.255	6	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|N<3>,7|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|N<3>,1|O<1>,5|H<1>}	113.4310	0.000	1	112.9925	0.385	2	112.3437	2.255	6	112.3437	2.255	6	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){3|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|O<1>,1|O<2>,5|H<1>}	113.4475	0.384	2	113.4475	0.147	2	112.3437	2.255	6	112.3437	2.255	6	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,3|H<1>}	111.4030	0.000	1	111.4030	0.000	1	112.3437	2.255	6	112.3437	2.255	6	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|O<1>,4|H<1>}	109.7790	0.000	1	109.7790	0.000	1	112.3437	2.255	6	112.3437	2.255	6	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:4:1:	3:4:3:2:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	N[5,5](C[5,5]C[5]2O)(C[5]C[5]CH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH)	N[5,5](C[5,5]C[5]2O)(C[5]C[5]CH)(C[5]C[5]O){6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]H)(OH){1|C<4>,1|O<1>,4|H<1>}	112.1690	0.000	1	112.1690	0.000	1	112.1690	0.000	1	112.1690	0.000	1	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:4:3:	3:4:2:4:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[6]-4:C[5]-4:C-3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C[6]C)(C[5]O[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6]C[6]O[6]H)(C[5]O[5]HH)(COO)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C[6]C)(C[5]O[5]O){2|C<4>,2|O<2>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6]C[6]O[6]H)(C[5]O[5]HH)(COO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.5010	0.000	1	111.0155	5.948	31	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5,6]	4:4:3:	3:3:4:2:	3:4:4:1:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|S<2>,2|C<3>,2|O<1>,3|H<1>}	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:3:2:4:	3:3:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	N[5,6,6]-3:C[5]-3:C-4:H-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]CH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H)	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HO){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>}	112.9690	0.000	1	112.9690	0.000	1	112.9690	0.000	1	112.9690	0.000	1	112.6686	1.040	20	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:3:2:4:	3:4:1:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-3:S[6,6]-2:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(S[6,6]S[6,6])(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	113.5280	0.000	1	112.6686	1.040	20	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:4:2:4:	3:4:1:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:O[6,6]-2:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]O[6,6]C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(O[6,6]O[6,6])(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.8070	0.000	1	113.8070	0.000	1	113.8070	0.000	1	113.8070	0.000	1	112.6686	1.040	20	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:4:3:4:	3:4:1:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.5240	0.000	1	113.5240	0.000	1	113.1254	0.242	12	113.1254	0.242	12	112.6686	1.040	20	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:4:3:4:	3:4:1:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.8921	0.508	7	112.8921	0.258	7	113.1254	0.242	12	113.1254	0.242	12	112.6686	1.040	20	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:4:3:4:	3:4:1:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,6|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.2770	0.000	1	113.4340	0.064	4	113.1254	0.242	12	113.1254	0.242	12	112.6686	1.040	20	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:3:4:	3:4:3:4:	3:4:1:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]O)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){1|O<1>,3|C<4>,5|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.4863	0.282	3	113.4340	0.064	4	113.1254	0.242	12	113.1254	0.242	12	112.6686	1.040	20	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:3:4:	4:3:3:4:	3:2:4:1:	C[5,3x6]-4:C[6,6]-3:C[5]-4:	C[5,6,6]-4:N[5,6,6]-3:C[6,6]-3:C[5]-4:	N[5,6,6]-3:O[5]-2:C-4:H-1:	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(C[5]O[5]CH)	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H)	N[5,6,6](C[5,3x6]C[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,3x6](C[5,6,6]C[5,6,6]C[5]H)(N[5,6,6]C[6,6]C[5])(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	112.6686	1.040	20	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:4:3:	3:4:3:4:	3:3:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[3x6]O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[3x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	110.9970	0.000	1	110.9970	0.000	1	111.0635	0.106	4	111.0635	0.106	4	112.6686	1.040	20	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:4:3:	3:4:3:4:	3:3:2:1:	C[5,3x6]-4:C[5]-4:C[6,6]-3:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[6a]-3:O[5]-2:H-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[5]C[6a]O[5]H)(C[6,6]C[4x6]O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]O[5]HH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	111.0857	0.396	3	111.0857	0.157	3	111.0635	0.106	4	111.0635	0.106	4	112.6686	1.040	20	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,5,3x6]	C[5]	4:3:4:	3:4:3:4:	3:4:1:1:	C[5,5,3x6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5,5]-4:N[5,6,6]-3:C[6,6]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC)	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2	N[5,6,6](C[5,5,3x6]N[5,6,6]C[5,5]C[6,6])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5,3x6](N[5,6,6]C[5,6a]C[6,6])(C[5,5]C[5,6a]C[5]O)(N[5,6,6]C[6,6]C[5])(C[6,6]C[6,6]CC){1|C<4>,2|C<3>,2|O<1>,6|H<1>}	C[5](N[5,6,6]C[5,5,3x6]C[6,6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,2|O<1>}	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	115.4020	0.000	1	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:4:3:	3:4:3:1:	C[5,5,6]-4:C[5,6]-4:C[6,6,6a]-3:	C[5,5,6]-4:N[5,6,6]-3:C[5,5]-4:C[5]-3:	N[5,6,6]-3:C[5,5]-4:C[6]-3:H-1:	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2)	C[5,5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5,6,6]C[6,6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O)	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H)	N[5,6,6](C[5,5,6]C[5,5,6]C[5,5]C[5])(C[5,6]C[5,5]C[6]H)(C[6,6,6a]C[6,6a]2){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[5,5,6](C[5,5,6]C[5,6a]N[5,6]C[5])(N[5,6,6]C[6,6,6a]C[5,6])(C[5,5]C[5,5]C[5]H)(C[5]N[5]O){1|C<4>,1|N<3>,2|H<1>,2|O<1>,7|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	105.1640	0.000	1	105.1640	0.000	1	105.1640	0.000	1	105.1640	0.000	1	105.1640	0.000	1	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,5]	C[5,3x6]	4:4:3:	4:3:3:1:	3:3:4:2:	C[5,3x6]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O){1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|H<1>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|C<3>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	114.6155	0.397	2	114.6155	0.157	2	114.6683	0.060	4	114.6683	0.060	4	114.6683	0.060	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,5]	C[5,3x6]	4:4:3:	4:3:3:1:	3:3:4:2:	C[5,3x6]-4:C[5,5]-4:C[6,6]-3:	C[5,5]-4:N[5,6,6]-3:N[5]-3:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H)	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,5]C[5,5]N[5]H)(C[6,6]C[3x6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6,6]C[5,3x6]C[6,6])(N[5]C[5,6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,5|C<3>}	C[5,3x6](N[5,6,6]C[5,5]C[6,6])(C[6,6]N[6,6]O)(C[5]C[5,5]HO)(S[6,6]S[6,6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	114.7210	0.112	2	114.7210	0.012	2	114.6683	0.060	4	114.6683	0.060	4	114.6683	0.060	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:4:4:1:	3:4:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	107.3040	0.000	1	107.3040	0.000	1	107.6180	0.197	2	107.6180	0.197	2	107.6180	0.197	2	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:4:4:1:	3:4:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	107.9320	0.000	1	107.9320	0.000	1	107.6180	0.197	2	107.6180	0.197	2	107.6180	0.197	2	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,6,6]	C[5,6]	4:4:3:	3:3:3:4:	3:4:3:1:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	N[5,6,6]-3:C[5]-3:C[6]-3:C[6]-4:	N[5,6,6]-3:C[6]-4:C[5]-3:H-1:	N[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H)	N[5,6,6](C[5,6,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6])(C[5]C[6a]C[5])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](N[5,6,6]C[5,6,6]C[6])(C[6]C[6]HH)(C[5]C[5]C)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	105.4260	0.000	1	105.4260	0.000	1	105.4260	0.000	1	105.4260	0.000	1	105.4260	0.000	1	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,6]	C[5,3x6]	4:4:3:	3:4:4:1:	3:3:4:2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	113.0955	0.380	2	113.0955	0.144	2	112.9670	0.795	4	112.9670	0.795	4	112.9670	0.795	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,6]	C[5,3x6]	4:4:3:	3:4:4:1:	3:3:4:2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	113.8810	0.000	1	112.8385	2.174	2	112.9670	0.795	4	112.9670	0.795	4	112.9670	0.795	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,6]	C[5,3x6]	4:4:3:	3:4:4:1:	3:3:4:2:	C[5,3x6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6,6]-3:C[6,6]-3:C[5]-4:S[6,6]-2:	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O)	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6])	N[5,6,6](C[5,3x6]C[6,6]S[6,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6,6]C[5,3x6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,3x6]C[6,6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,4|H<1>}	C[5,3x6](N[5,6,6]C[5,6]C[6,6])(C[6,6]N[5,6,6]O)(C[5]C[5,6]HH)(S[6,6]S[6,6]){1|O<1>,2|H<1>,4|C<4>}	111.7960	0.000	1	112.8385	2.174	2	112.9670	0.795	4	112.9670	0.795	4	112.9670	0.795	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5,6]-4:C[5,6]-4:C[6,6,6a]-3:	N[5,6,6]-3:C[6,6a]-3:C[5]-3:H-1:	N[5,6,6]-3:C[6,6a]-3:C[5]-3:H-1:	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H)	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2){8|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H){2|H<1>,6|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]C)(H){2|H<1>,6|C<3>}	101.6020	0.000	1	101.6020	0.000	1	101.6020	0.000	1	101.6020	0.000	1	106.0200	39.037	2	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-3:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]N[6]2)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]N[6]2){1|C<3>,2|C<4>,9|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]CH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<2>,2|C<4>,2|N<3>,3|H<1>}	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	106.0200	39.037	2	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[3x5,6,6]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,8|H<1>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	111.7760	1.263	2	111.5439	0.265	8	111.3494	0.305	11	111.3494	0.305	11	111.3494	0.305	11	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[3x5,6,6]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|H<1>,6|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	111.3300	0.000	1	111.5439	0.265	8	111.3494	0.305	11	111.3494	0.305	11	111.3494	0.305	11	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[3x5,6,6]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,8|H<1>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	111.5405	0.278	2	111.5439	0.265	8	111.3494	0.305	11	111.3494	0.305	11	111.3494	0.305	11	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[3x5,6,6]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,3|C<3>,9|H<1>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	111.4560	0.000	1	111.5439	0.265	8	111.3494	0.305	11	111.3494	0.305	11	111.3494	0.305	11	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[3x5,6,6]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|O<1>,4|C<3>,8|H<1>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	111.4660	0.085	2	111.5439	0.265	8	111.3494	0.305	11	111.3494	0.305	11	111.3494	0.305	11	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[3x5,6,6]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[3x5,6,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5,5]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]S)	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6])	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2	N[5,6](C[3x5,6,6]C[3x5,6]C[5,6,6]O[5,5])(C[5]C[5]HH)(C[6]C[6]S){1|C<3>,4|H<1>,5|C<4>}	C[3x5,6,6](C[3x5,6]C[5,5,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(O[5,5]C[5,5,6]){1|C<4>,1|N<3>,1|S<1>,3|C<3>,9|H<1>}	C[5](N[5,6]C[3x5,6,6]C[6])(C[5]C[3x5,6]HH)(H)2{1|C<3>,1|O<2>,1|S<1>,3|C<4>}	110.8307	0.205	3	110.8307	0.042	3	111.3494	0.305	11	111.3494	0.305	11	111.3494	0.305	11	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,3x6]-4:C[5,6]-3:C[5]-4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6]C[5,6]C[5])(C[5]C[5]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H)	C[5](N[5,6]C[5,3x6]C[5,6])(C[5]C[5,5,6,6]HH)(H)2	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5,6]C[5,6]C[5])(C[5]C[5]HH){2|C<3>,4|H<1>,5|C<4>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5,6]C[5])(H){10|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](N[5,6]C[5,3x6]C[5,6])(C[5]C[5,5,6,6]HH)(H)2{1|H<1>,2|C<3>,3|C<4>}	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	111.8380	0.000	1	109.8655	6.231	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:4:3:	4:4:3:3:	3:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[5,3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,3x6]C[5,3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5,3x6](C[5,3x6]C[5,6]2C[6])(C[5,6]C[5]O[6]H)(N[5,6]C[5]C[6])(C[6]C[6]H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	112.1930	0.000	1	112.1930	0.000	1	112.1930	0.000	1	112.1930	0.000	1	109.8655	6.231	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:4:3:	4:4:3:4:	3:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){4|C<4>,8|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,9|H<1>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	107.9800	0.000	1	107.9800	0.000	1	107.7155	0.140	2	107.7155	0.140	2	109.8655	6.231	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:4:3:	4:4:3:4:	3:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(C[6]C[6]HH){2|O<1>,4|C<4>,8|H<1>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	107.4510	0.000	1	107.4510	0.000	1	107.7155	0.140	2	107.7155	0.140	2	109.8655	6.231	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5,6,6]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:O[5]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5])	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(O[5]C[5]){13|H<1>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>}	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	110.2850	0.000	1	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(COO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]O)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]O)(N[5,6]C[5,6]C)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	108.3050	0.325	2	108.3050	0.106	2	108.3050	0.106	2	108.3050	0.106	2	108.7353	0.608	3	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(CCO)	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(CCO){1|C<4>,1|N<3>,2|H<1>,2|O<2>}	C[5,5,6](C[5,6]O[5,6]N[6a]H)(C[5,5]C[5,5,6]HO)(N[5,6]C[5,6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]C)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	109.5960	0.000	1	108.7353	0.608	3	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:3:4:	4:3:4:2:	3:4:1:1:	C[5,5,6]-4:C[6]-3:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:N[5]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,6]C[5]N[5])(C[6]C[5a,6]O)(C[5]C[5]HH)	C[5,5,6](C[5,6]N[5a,6]O[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(N[5]C[5])	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,5,6]C[5,6]C[5]N[5])(C[6]C[5a,6]O)(C[5]C[5]HH){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[5,5,6](C[5,6]N[5a,6]O[5]H)(N[5,6]C[5]C[6])(C[5]C[5]HH)(N[5]C[5]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,1|O<1>,2|H<1>}	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	111.2050	0.000	1	110.9989	1.518	9	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]F)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.7670	0.000	1	109.7670	0.000	1	110.0597	1.133	4	110.0597	1.133	4	110.9989	1.518	9	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CCCH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	111.5970	0.000	1	111.5970	0.000	1	110.0597	1.133	4	110.0597	1.133	4	110.9989	1.518	9	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,5]-3:N[5,6]-3:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,5,6](C[5,6]C[5,6a]C[6]O)(N[5,5]C[5,6a]C[5])(N[5,6]C[5]C[6])(H){2|C<3>,2|C<4>,2|O<1>,3|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	109.4375	0.418	2	109.4375	0.175	2	110.0597	1.133	4	110.0597	1.133	4	110.9989	1.518	9	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:3:	4:3:4:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:C[5,5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[5,5]C[5]2H)(H){2|C<4>,2|O<1>,7|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]CH)(H)2{1|O<1>,2|H<1>,3|C<4>}	112.5980	0.000	2	112.5980	0.000	2	112.5980	0.000	2	112.5980	0.000	2	110.9989	1.518	9	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[5,6]-4:N[5,6]-3:N[5]-2:	N[5,6]-3:C[5,6]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,6]2N[5])(C[5]C[5,6]HH)(C[6]C[5a,6]O)	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5])	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	N[5,6](C[5,5,6]C[5,6]2N[5])(C[5]C[5,6]HH)(C[6]C[5a,6]O){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[5,5,6](C[5,6]N[5a,6]N[5]H)(C[5,6]C[5,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5]){1|C<4>,1|O<1>,1|S<2>,3|C<3>,6|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|N<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	111.1750	0.000	2	111.1750	0.000	2	111.1750	0.000	2	111.1750	0.000	2	110.9989	1.518	9	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,5]-4:C[5]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,5]C[5]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,8|H<1>}	C[5,5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2O)(C[5]C[5,5]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	111.3260	0.000	1	112.3377	1.575	3	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:3:	4:3:3:1:	3:4:3:2:	C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:O-2:	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]O)(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]O)(C[6]C[6]O){1|N<3>,1|O<1>,1|S<4>,2|H<1>,2|O<2>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]S)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,5|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HO)(C[6]N[6]O)(OC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	112.8435	1.615	2	112.3377	1.575	3	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:3:	4:3:3:1:	3:4:3:2:	C[5,5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]S)(C[6]C[6]O)	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]S)(C[6]C[6]O){1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5a]C[5])(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(SC){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	113.7420	0.000	1	113.7420	0.000	1	113.7420	0.000	1	112.8435	1.615	2	112.3377	1.575	3	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6,6]	C[5,6]	4:4:3:	3:3:4:1:	3:3:3:3:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6]-3:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:C[6]-3:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]2)(C[6]O[6]O)	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H)	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6]C[5]C[6]2)(C[6]O[6]O){2|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,6]C[6,6a]C[5])(N[5,6]C[5,6]C[6])(C[6,6]C[6]2H)(H){1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]C[6a])(C[6]C[6]H)2{1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	112.6640	0.106	2	112.6640	0.011	2	112.6640	0.011	2	112.6640	0.011	2	112.6640	0.011	2	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:3:4:	3:2:4:4:	3:4:1:1:	C[5,6,6]-4:C[6,6]-3:C[5]-4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	N[5,6]-3:C[5,6]-4:H-1:H-1:	N[5,6](C[5,6,6]O[5,6]C[6]2)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH)	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2	N[5,6](C[5,6,6]O[5,6]C[6]2)(C[6,6]C[6,6]C[6])(C[5]C[5,6]HH){6|C<4>,6|H<1>}	C[5,6,6](N[5,6]C[6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|C<3>,3|C<4>,6|H<1>}	C[5](N[5,6]C[5,6,6]C[6,6])(C[5,6]O[5,6]C[6]H)(H)2{1|C<3>,2|H<1>,4|C<4>}	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	109.8890	0.000	1	111.3327	2.534	7	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:3:4:	3:4:4:4:	3:4:4:1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH)	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[5]C[5]CH){2|C<4>,3|C<3>,8|H<1>}	C[5,6,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]HH)(CHHO)(H){2|C<3>,2|C<4>,2|H<1>}	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	112.4400	0.000	1	111.3327	2.534	7	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:3:	3:4:4:2:	3:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,7|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|C<3>,1|O<1>,3|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	110.0640	0.000	1	109.5970	0.436	2	109.5970	0.436	2	109.5970	0.436	2	111.3327	2.534	7	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:3:	3:4:4:2:	3:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.1300	0.000	1	109.5970	0.436	2	109.5970	0.436	2	109.5970	0.436	2	111.3327	2.534	7	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:3:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	112.3420	0.000	1	111.3327	2.534	7	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:3:	4:3:4:4:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:C[6]-4:C[6]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6]2)(C[5]C[5]HH)(C[6]C[6]O){1|O<2>,3|C<4>,8|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(C[6]C[6]HO){10|H<1>,1|O<1>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|H<1>,1|O<1>,4|C<4>}	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	112.2340	0.000	1	111.3327	2.534	7	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	113.2300	0.000	1	113.2300	0.000	1	113.2300	0.000	1	113.2300	0.000	1	111.3327	2.534	7	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5,5]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	C[5,5]-4:N[5,6]-3:N[5]-3:H-1:	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H)	N[5,6](C[5,5]C[5,5]N[5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|N<2>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<4>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5,6]C[5,6]C[6])(N[5]C[5,6a]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6,6]	4:4:3:	4:3:4:1:	4:3:3:2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6])	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	110.5820	0.000	1	110.5820	0.000	1	110.4430	0.039	2	110.4430	0.039	2	110.4430	0.039	2	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6,6]	4:4:3:	4:3:4:1:	4:3:3:2:	C[5,6,6]-4:C[5,6]-4:C[6]-3:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:C[6]-3:S[6]-2:	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H)	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6])	N[5,6](C[5,6,6]C[5,6]C[6]S[6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(N[5,6]C[5,6,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<2>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](C[5,6]C[5,6,6]HH)(N[5,6]C[5,6]C[6])(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	110.3040	0.000	1	110.3040	0.000	1	110.4430	0.039	2	110.4430	0.039	2	110.4430	0.039	2	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	3:3:4:2:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.8035	0.046	2	111.8035	0.002	2	111.8035	0.002	2	111.8035	0.002	2	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.5155	0.039	4	112.3358	0.082	6	112.3680	0.075	7	112.3680	0.075	7	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.9765	0.128	2	112.3358	0.082	6	112.3680	0.075	7	112.3680	0.075	7	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	112.5610	0.000	1	112.5610	0.000	1	112.3680	0.075	7	112.3680	0.075	7	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:3:4:2:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	111.9000	0.000	1	111.9000	0.000	1	112.2055	0.187	2	112.2055	0.187	2	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:3:4:2:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<1>,2|S<2>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	112.5110	0.000	1	112.5110	0.000	1	112.2055	0.187	2	112.2055	0.187	2	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(H){1|O<1>,2|H<1>,4|C<4>}	112.1905	0.687	2	112.1905	0.471	2	112.2188	0.173	4	112.2188	0.173	4	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|N<3>,1|O<1>,3|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	112.2470	0.209	2	112.2470	0.044	2	112.2188	0.173	4	112.2188	0.173	4	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:3:2:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,2|C<4>,2|O<1>,2|S<2>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SS){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	111.7350	0.000	1	111.7350	0.000	1	112.6766	0.402	5	112.6766	0.402	5	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:3:2:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|S<2>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|O<1>,2|H<1>,4|C<4>}	112.9120	0.408	4	112.9120	0.166	4	112.6766	0.402	5	112.6766	0.402	5	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,6]C[6]C)(C[5,6]C[5]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]O)(C[6]C[5a,6]HH)(CHHO){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)(H){1|O<1>,1|O<2>,2|H<1>,4|C<4>}	112.0445	0.241	2	112.0445	0.058	2	112.0445	0.058	2	112.0445	0.058	2	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-3:	C[3,5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5,6]C[3,5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[5,6](C[3,5,6]C[3,6]C[5]O[3])(N[5,6]C[5,6]C[6])(C[6]C[6]HO)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[3,5,6]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	110.9980	0.051	2	110.9980	0.003	2	110.9980	0.003	2	110.9980	0.003	2	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(COO)	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,1|O<2>,7|H<1>}	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	104.6000	0.000	1	104.6000	0.000	1	104.6000	0.000	1	104.6000	0.000	1	111.9015	2.623	25	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:3:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6a]C[6])(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	112.9700	0.569	2	112.9700	0.323	2	112.9700	0.323	2	112.9700	0.323	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:3:4:1:	3:4:4:4:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:Si[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC)	C[5,6](N[5,6]C[6,6a]C[5])(Si[6]C[5]C[6])(C[5]C[5]CC)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]Si[6]C[5]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	C[5,6](N[5,6]C[6,6a]C[5])(Si[6]C[5]C[6])(C[5]C[5]CC)(H){1|N<3>,2|C<3>,2|H<1>,5|C<4>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	112.5260	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:3:4:4:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:3:4:4:	3:4:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH)	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H)	N[5,6](C[6,6a]C[6,6a,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(N[6]C[6,6a]C)(C[5]C[5]HH)(CH3){1|C<4>,3|C<3>,3|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	114.0600	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:2:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:3:1:	3:4:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:N[5]-3:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]N[5]H){4|H<1>,7|C<3>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]CC)(C[6]C[6]H)(H){1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,2|O<1>,7|C<3>}	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	111.7710	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:3:1:	3:4:4:4:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:Si[6]-3:H-1:	N[5,6]-3:C[5]-4:C-4:C-4:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]2)(Si[6]C[5]C[6])(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(CH3)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]Si[6]H)(C[5]C[5]CC){2|H<1>,3|C<3>,4|C<4>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]2)(Si[6]C[5]C[6])(H){1|N<3>,2|C<3>,6|H<1>,7|C<4>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,6]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	114.5400	0.000	1	114.5400	0.000	1	114.5400	0.000	1	114.5400	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:3:4:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:N[6]-3:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]C)(C[5]C[5]HH){3|C<3>,6|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]H)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	112.4680	0.093	2	112.4680	0.009	2	112.4680	0.009	2	112.4680	0.009	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.7450	0.000	1	112.1305	0.297	2	112.1305	0.297	2	112.4768	0.330	6	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]2C[6])(C[5]C[5]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|N<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.5160	0.000	1	112.1305	0.297	2	112.1305	0.297	2	112.4768	0.330	6	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<1>,4|C<3>,7|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.5210	0.000	1	112.9030	0.112	3	112.9030	0.112	3	112.4768	0.330	6	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){1|O<2>,2|O<1>,3|C<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	113.1420	0.000	1	112.9030	0.112	3	112.9030	0.112	3	112.4768	0.330	6	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6,6]C[6]3)(C[5]C[5]HH)(H){4|C<3>,8|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	113.0460	0.000	1	112.9030	0.112	3	112.9030	0.112	3	112.4768	0.330	6	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|C<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.8910	0.000	1	111.8910	0.000	1	111.8910	0.000	1	112.4768	0.330	6	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<2>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(C[6]C[6]CC)(CHHO){1|C<4>,2|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.8890	0.375	4	111.8890	0.141	4	111.8890	0.141	4	111.7960	0.149	5	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(C[5]C[5]HH){1|C<4>,2|C<3>,7|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(CH3){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.4240	0.000	1	111.4240	0.000	1	111.4240	0.000	1	111.7960	0.149	5	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:3:1:	3:3:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H)	C[5](N[5,6]C[6,6a]C[5,6])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[6]H)(C[5]N[5,6]HH){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[6,6a]C[5])(N[6]C[6]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(N[5,6]C[5,6]C[6])(H)2{2|N<3>,3|C<3>,4|H<1>}	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	110.6810	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:3:1:	3:4:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){3|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,5|C<3>}	109.7055	0.769	2	109.7055	0.591	2	109.7055	0.591	2	109.7055	0.591	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:3:4:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[6a]C[5]H){2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	112.8080	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){2|O<1>,5|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.8230	0.000	1	112.8230	0.000	1	109.8970	9.480	9	109.8970	9.480	9	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	109.4375	3.689	2	108.5428	8.477	6	109.8970	9.480	9	109.8970	9.480	9	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	108.0955	2.965	4	108.5428	8.477	6	109.8970	9.480	9	109.8970	9.480	9	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.9290	0.000	1	112.4965	0.374	2	109.8970	9.480	9	109.8970	9.480	9	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[5]C[6])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.0640	0.000	1	112.4965	0.374	2	109.8970	9.480	9	109.8970	9.480	9	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:4:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-4:C-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO){1|C<4>,2|C<3>,3|H<1>}	112.2060	0.000	2	112.2060	0.000	2	112.2060	0.000	2	112.2060	0.000	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:3:3:	3:3:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H)	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6,6a]O)(C[5]C[5]CH){1|H<1>,2|O<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]O)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(CH3)(H){1|H<1>,1|O<1>,3|C<3>}	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.7410	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:2:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:O[5]-2:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6,6]O)(C[5]O[5]HH){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]CH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	112.2455	0.472	2	112.2455	0.222	2	112.2455	0.222	2	112.2455	0.222	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.9993	1.839	4	110.9993	3.380	4	111.7985	1.591	11	111.7985	1.591	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.9555	0.107	2	111.9555	0.011	2	111.7985	1.591	11	111.7985	1.591	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	112.6190	0.000	1	112.3640	0.135	3	111.7985	1.591	11	111.7985	1.591	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.9430	0.000	1	112.3640	0.135	3	111.7985	1.591	11	111.7985	1.591	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	112.5300	0.000	1	112.3640	0.135	3	111.7985	1.591	11	111.7985	1.591	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	111.6090	0.000	1	112.3915	1.225	2	111.7985	1.591	11	111.7985	1.591	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]N[6,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|N<3>,1|O<1>,3|H<1>}	113.1740	0.000	1	112.3915	1.225	2	111.7985	1.591	11	111.7985	1.591	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.8260	1.732	2	111.8260	3.001	2	111.8260	3.001	2	111.8260	3.001	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:2:	3:3:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:O-2:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	N[5,6](C[5,6]C[5]C[6]O)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(OH){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	110.0785	0.531	2	110.0785	0.282	2	110.0785	0.282	2	111.2660	1.986	4	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:2:	3:3:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H)	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]CH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SS){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(CCHO)(H){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	112.4535	0.189	2	112.4535	0.036	2	112.4535	0.036	2	111.2660	1.986	4	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:3:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6a]-3:C[6]-4:N[5]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6a]C[6]N[5])(C[6]C[6a]C[6])(C[5]C[5]HH){1|C<4>,5|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H){5|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,1|H<1>,3|C<3>}	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	109.4850	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:4:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:N[6]-3:C[5]-4:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	111.4650	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:2:4:	3:3:4:4:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	N[5,6]-3:C[5]-3:C-4:C-4:	N[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6a]O)(C[5]C[5]CC)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3)	N[5,6](C[5,6]C[6]O[5]C)(C[6]C[6,6a]O)(C[5]C[5]CC){1|O<1>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(O[5]C[5])(CH3){2|C<3>,2|C<4>,2|O<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CHHO)(CH3){1|C<3>,1|O<1>,2|C<4>}	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	111.6530	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:3:1:	3:2:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:O[5]-2:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:3:1:	3:2:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:S[5]-2:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CC3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]CH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CC3)(H){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	114.6350	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]N)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|N<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|N<2>,2|C<4>,3|H<1>}	110.1470	0.000	1	110.1470	0.000	1	111.6448	0.565	6	111.7534	0.655	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH){3|C<3>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.9220	0.206	3	111.9444	0.033	5	111.6448	0.565	6	111.7534	0.655	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6])(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.9780	0.205	2	111.9444	0.033	5	111.6448	0.565	6	111.7534	0.655	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	111.6590	0.000	1	111.5665	0.017	2	111.9163	0.965	4	111.7534	0.655	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|O<2>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	111.4740	0.000	1	111.5665	0.017	2	111.9163	0.965	4	111.7534	0.655	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<2>,1|O<2>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6]HH)(C[5]C[5]HO)(H){1|O<1>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.1730	0.000	1	111.1730	0.000	1	111.9163	0.965	4	111.7534	0.655	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]CH)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	113.3590	0.000	1	113.3590	0.000	1	111.9163	0.965	4	111.7534	0.655	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:3:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:N-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]N)(C[6]C[5a,6]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]N)(C[6]C[5a,6]O)(C[5]C[5]HH){1|C<3>,1|N<2>,1|N<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HN)(C[5]C[5]HH)(NHS){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	112.1400	0.000	1	112.1400	0.000	1	112.1400	0.000	1	112.1400	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:4:4:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[6]C[6a]C[6])(C[5]C[5]HH){3|C<3>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	111.9800	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,2|O<1>,3|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	110.0350	0.710	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	C[6,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH)	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[6,6]C[5]H)(C[6]C[6,6]O)(C[5]C[5]HH){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5,6](C[6,6]C[5a,6]N[6,6]Cl)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	109.4390	0.000	1	109.4390	0.000	1	109.4390	0.000	1	110.0350	0.710	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:2:	3:3:4:1:	3:3:2:2:	C[5,6]-4:C[5]-4:N[6]-2:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-3:C-2:C-2:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(N[6]C[6])	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]N[6])(C[5]C[5]C)(CN)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(N[6]C[6]){3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]N[6])(C[5]C[5]HH)(H){1|H<1>,2|C<2>,4|C<3>}	C[5](N[5,6]C[5,6]N[6])(C[5]C[5]C)(CN)2{2|C<3>,3|H<1>}	107.2610	0.153	2	107.2610	0.023	2	107.2610	0.023	2	107.2610	0.023	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:2:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:S[5]-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(S[5]C[5])(H){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	111.9085	3.837	2	111.9085	14.726	2	111.9085	14.726	2	111.9085	14.726	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:2:2:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5a]-3:N[5,6]-3:S[5]-2:S[6]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6])	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2	N[5,6](C[5,6]C[5a]S[5]S[6])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[5a]C[5a,6a]C[5a])(N[5,6]C[5]C[6])(S[5]C[5])(S[6]C[6]){1|N<3>,1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>}	111.7690	6.080	2	111.7690	36.963	2	111.7690	36.963	2	111.7690	36.963	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:2:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5]-4:C-4:C-4:	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2{1|C<4>,3|C<3>}	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	110.5530	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:4:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)2	N[5,6](C[5,6]C[6,6a]C[5]C)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]C)(CF3){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>}	113.0170	0.000	2	113.0170	0.000	2	113.0170	0.000	2	112.7113	0.280	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:4:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:N[5]-3:C-4:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]O)(N[5]C[5]C)(CHHO)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<4>,2|O<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[5](N[5,6]C[5,6]C[6])(C[5]N[5]O)(H)2{1|C<3>,1|O<1>,3|C<4>}	112.1000	0.000	1	112.1000	0.000	1	112.1000	0.000	1	112.7113	0.280	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:4:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5a,6]-3:N[5,6]-3:C[6a]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5a,6]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5a,6]C[6a]C[5])(C[5]C[5]HH)(C[6]C[6]O){4|C<3>,6|H<1>}	C[5,6](C[5a,6]C[5a,6]C[5a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,1|S<2>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|C<3>,2|H<1>}	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	111.9250	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:2:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:O[5]-2:C-4:C-4:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CC)(C[6]C[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]O[5]CC)(C[6]C[6]O){1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]O[5]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	110.4380	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6a]-3:N[5,6]-3:O-2:H-1:	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H)	N[5,6](C[5,6]C[5,6a]C[6]H)(C[5]C[5,6a]HO)(C[6]N[6]S){3|C<3>,3|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,1|O<2>,1|S<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)(H){1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	114.2510	0.605	2	114.2510	0.366	2	114.2510	0.366	2	112.3517	11.006	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6,6]O)(C[5]O[5]HH)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	108.5530	0.000	1	108.5530	0.000	1	108.5530	0.000	1	112.3517	11.006	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]O[6]O){1|O<2>,3|H<1>,4|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|H<1>,2|O<2>,3|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HO)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	111.9390	0.000	1	111.9390	0.000	1	111.9390	0.000	1	111.9390	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	111.3420	0.000	1	111.3420	0.000	1	111.3420	0.000	1	110.6625	0.947	4	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	110.8150	0.000	1	110.8150	0.000	1	110.4360	1.113	3	110.6625	0.947	4	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){1|O<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]C[6])(C[5]C[5]HO)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|H<1>,2|O<2>}	110.2465	1.418	2	110.2465	2.010	2	110.4360	1.113	3	110.6625	0.947	4	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:2:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:O[5]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){3|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	108.5450	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:4:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:N[5,6]-3:C[6]-4:C-4:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6a]C[6]C)(C[5]C[5,6a]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6a]C[5,6a]N[6a])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,2|O<1>,3|C<4>}	114.5360	0.158	2	114.5360	0.025	2	114.5360	0.025	2	114.5360	0.025	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:4:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6a]-3:N[5,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H)	N[5,6](C[5,6]C[6a]C[5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,2|N<2>,5|C<3>,5|H<1>}	C[5,6](C[6a]C[6a]N[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]N[6a])(C[5]C[6a]C[5]H)(H){1|O<1>,2|C<4>,2|H<1>,6|C<3>}	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	113.7200	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	109.0860	0.000	1	109.5425	0.417	2	109.5425	0.417	2	112.7734	10.544	5	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	109.9990	0.000	1	109.5425	0.417	2	109.5425	0.417	2	112.7734	10.544	5	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	115.1210	0.000	1	114.9273	3.482	3	114.9273	3.482	3	112.7734	10.544	5	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	112.9720	0.000	1	114.9273	3.482	3	114.9273	3.482	3	112.7734	10.544	5	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:S[5]-2:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	116.6890	0.000	1	114.9273	3.482	3	114.9273	3.482	3	112.7734	10.544	5	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|O<1>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CC[6a]HH)(H){1|H<1>,1|O<1>,2|C<4>}	109.3105	0.500	2	109.3105	0.250	2	109.3105	0.250	2	109.3105	0.250	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:N[6]-2:C-3:	N[5,6]-3:S[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6])(COO)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O){1|N<2>,2|H<1>,3|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6])(COO){1|C<3>,2|H<1>,3|O<1>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|N<2>,1|O<1>,2|C<3>,2|H<1>}	116.0330	0.000	1	116.0330	0.000	1	116.0330	0.000	1	116.0330	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:2:4:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H)	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]O)(CH3)(H){1|O<1>,3|C<4>}	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:2:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:S[5]-2:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]S[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]S[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	113.5590	1.700	4	113.5590	2.891	4	113.5590	2.891	4	113.5590	2.891	4	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6a]-3:C[6,6]-4:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6a]C[6,6]H)(C[5]C[5,6a]HH)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6]C[6,6a]C[6]2)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<4>,4|C<3>,7|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,2|C<4>,2|H<1>}	114.2340	0.000	2	114.2340	0.000	2	114.2340	0.000	2	114.2340	0.000	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[5,6]O){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	109.3880	0.000	1	109.3880	0.000	1	109.9135	0.552	2	109.9135	0.552	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]O){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	110.4390	0.000	1	110.4390	0.000	1	109.9135	0.552	2	109.9135	0.552	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5,5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5,5]HH)(C[6]C[5,6]O){1|C<3>,1|C<4>,1|O<1>,2|N<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5,5]C[5]2N[5])(H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>,3|H<1>}	112.2815	0.793	4	112.2815	0.629	4	112.2815	0.629	4	111.6755	0.893	17	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<3>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<3>,3|H<1>}	111.5420	0.000	1	111.4301	1.016	11	111.4890	0.874	13	111.6755	0.893	17	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	110.3900	0.000	1	111.4301	1.016	11	111.4890	0.874	13	111.6755	0.893	17	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.6758	0.739	5	111.4301	1.016	11	111.4890	0.874	13	111.6755	0.893	17	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.0093	1.600	3	111.4301	1.016	11	111.4890	0.874	13	111.6755	0.893	17	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,1|O<1>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	112.3920	0.000	1	111.4301	1.016	11	111.4890	0.874	13	111.6755	0.893	17	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(H){1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	112.0080	0.000	1	112.0080	0.000	1	111.4890	0.874	13	111.6755	0.893	17	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	111.6180	0.000	1	111.6180	0.000	1	111.4890	0.874	13	111.6755	0.893	17	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:2:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,1|O<2>,2|O<1>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]N[6]O)(SC){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|H<1>,1|O<1>,1|O<2>,1|S<2>,2|C<3>}	112.3395	1.034	2	112.3395	1.070	2	112.3395	1.070	2	112.3395	1.070	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:N[6]-3:C-3:	N[5,6]-3:S[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2	N[5,6](C[5,6]C[5]N[6]C)(C[5]S[5]HH)(C[6]C[6]O){1|N<2>,3|H<1>,3|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(N[6]N[6]H)(COO){1|C<3>,2|H<1>,3|O<1>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5]OO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	118.3920	0.000	1	118.3920	0.000	1	118.3920	0.000	1	118.3920	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:4:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.6720	0.000	1	111.3755	0.176	2	111.3755	0.176	2	111.3910	0.089	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:4:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]N[6]O)(CCHH){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.0790	0.000	1	111.3755	0.176	2	111.3755	0.176	2	111.3910	0.089	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:4:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:N[5]-3:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]N)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6]N[5]C)(C[5]C[5]HH)(C[6]C[6]N){1|C<4>,1|N<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)(CH3){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	111.4220	0.000	1	111.4220	0.000	1	111.4220	0.000	1	111.3910	0.089	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-3:C-4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<1>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]O)(CCHH){1|O<1>,3|H<1>,4|C<4>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	113.3390	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CC)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	109.3680	0.000	1	109.3680	0.000	1	111.9095	1.192	11	111.9095	1.192	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	111.4820	0.000	1	111.7280	0.121	2	111.9095	1.192	11	111.9095	1.192	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	111.9740	0.000	1	111.7280	0.121	2	111.9095	1.192	11	111.9095	1.192	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<4>,1|O<1>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	111.2360	0.000	1	111.2360	0.000	1	111.9095	1.192	11	111.9095	1.192	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	113.2800	0.024	2	113.2800	0.001	2	111.9095	1.192	11	111.9095	1.192	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<4>,1|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	112.1700	0.000	1	112.1700	0.000	1	111.9095	1.192	11	111.9095	1.192	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<1>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.5590	0.000	1	111.5590	0.000	1	111.9095	1.192	11	111.9095	1.192	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]N[6]O){1|C<3>,1|S<4>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>}	112.6830	0.000	1	112.6830	0.000	1	111.9095	1.192	11	111.9095	1.192	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]O[6]O){1|C<4>,1|I<1>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HI)(H){1|C<4>,1|O<1>,1|O<2>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<1>,2|H<1>,2|O<2>}	111.9860	0.511	2	111.9860	0.261	2	111.9095	1.192	11	111.9095	1.192	11	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CNO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CNO)(H){1|O<1>,2|C<4>,3|H<1>}	112.4700	0.000	1	112.4700	0.000	1	112.0923	0.712	9	112.3815	1.469	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|I<1>,1|N<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HI)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	112.1184	0.934	7	112.1184	0.872	7	112.0923	0.712	9	112.3815	1.469	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	111.5320	0.000	1	111.5320	0.000	1	112.0923	0.712	9	112.3815	1.469	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6]-4:S[5]-4:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	N[5,6](C[5,6]C[6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|N<2>,1|O<2>,2|O<1>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HO)(S[5]C[5]OO)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,2|C<4>,3|O<1>}	114.9840	0.000	1	114.9840	0.000	1	114.9840	0.000	1	112.3815	1.469	10	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CCHH)(H){1|O<1>,2|C<4>,3|H<1>}	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	109.9480	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	113.0040	0.000	1	113.0040	0.000	1	113.0040	0.000	1	113.0040	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CF3)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)(CF3){1|O<1>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<4>}	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	112.5490	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CH3){1|O<1>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHI)(H){1|O<1>,2|H<1>,3|C<4>}	112.4600	0.000	1	112.4600	0.000	1	112.4600	0.000	1	112.4600	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:2:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:S[5]-2:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[5,6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H)	N[5,6](C[5,6]C[5,6]S[5]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<4>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(N[5,6]C[5]C[6])(S[5]C[5])(H){1|B<3>,1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]S[5]HH)(COO)(H){1|H<1>,1|O<1>,2|C<4>}	116.7020	0.000	1	116.7020	0.000	1	116.7020	0.000	1	116.7020	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:2:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:N[5,6]-3:O[6]-2:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5,6]HH)(C[6]C[5,6]O)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[3x5,6]O[6]H)(C[5]C[5,5,6]HH)(C[6]C[5,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(O[6]C[5,6])(H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<1>,2|C<3>,2|O<2>,3|H<1>}	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	112.6390	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	111.2770	0.000	1	111.2770	0.000	1	110.8720	1.814	3	110.8720	1.814	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(COO)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|Br<1>,2|H<1>,4|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]Br)(H){1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(COO)(H){2|H<1>,4|C<3>}	109.3690	0.000	1	109.3690	0.000	1	110.8720	1.814	3	110.8720	1.814	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(COO)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<2>,3|C<3>,3|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(COO)(H){2|H<1>,4|C<3>}	111.9700	0.000	1	111.9700	0.000	1	110.8720	1.814	3	110.8720	1.814	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6,6]O)	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5]C[5,5,6]HH)(C[6]C[6,6]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5]C[6])(C[6]N[6,6]O)(H){1|C<3>,1|O<1>,4|C<4>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,2|C<3>,3|C<4>,3|H<1>}	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	114.6900	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:3:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[3x5,6]-4:N[5,6]-3:N[6]-3:C-3:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[3x5,6]N[6]C)(C[5]C[5,5,6]HH)(C[6]N[6]O)	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[3x5,6]N[6]C)(C[5]C[5,5,6]HH)(C[6]N[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[5,6](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,6]C[5]C[6])(N[6]C[6a]C[6])(CCH){1|N<3>,2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>,3|C<3>}	113.4880	0.000	1	113.4880	0.000	1	113.4880	0.000	1	113.4880	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|O<2>,5|H<1>}	C[5,6](C[5,6]N[5,6]O[5]O)(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	111.1420	0.003	2	111.1420	0.000	2	111.1420	0.000	2	111.1420	0.000	2	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)(C[6]C[6]O){1|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(CHHO)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	111.2470	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.7580	0.000	1	108.5610	4.055	3	108.5610	4.055	3	108.5610	4.055	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	106.4560	0.000	1	108.5610	4.055	3	108.5610	4.055	3	108.5610	4.055	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	110.4690	0.000	1	108.5610	4.055	3	108.5610	4.055	3	108.5610	4.055	3	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-4:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](C[5,5]C[5]2N[5])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5]HH)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,5]C[5]2N[5])(N[5,6]C[5]C[6])(C[6]C[6]CH)(CH3){1|C<4>,2|C<3>,2|O<1>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<1>,3|C<4>}	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	114.1430	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	112.4080	0.000	1	111.7813	3.778	181	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	3:4:4:	3:3:4:1:	3:4:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:N[6]-3:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H)	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]N[6]H)(C[5]C[6a]C[5]H){1|N<3>,5|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(N[6]C[6]N)(H){1|O<1>,3|C<3>,3|H<1>}	113.3620	1.103	2	113.3620	1.217	2	113.3620	1.217	2	113.3620	1.217	2	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:3:4:	3:2:4:4:	3:2:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:S[5]-2:C-4:C-4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H)	N[5,6](C[5,6]C[5]O[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC){2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	114.6120	0.000	1	114.6120	0.000	1	114.6120	0.000	1	114.6120	0.000	1	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:3:4:	3:2:4:4:	3:3:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:S[5]-2:C-4:C-4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H)	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]S[5]CC){2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(CH3)2{1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]C)(C[5]S[5]CC)(H){1|O<1>,2|C<3>,2|C<4>}	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,4|H<1>}	111.9985	0.455	2	111.9985	0.207	2	111.9985	0.207	2	111.9985	0.207	2	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:3:4:	3:4:1:1:	3:3:4:2:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC)	N[5,6](C[5,6]C[5]C[6]S)(C[6]C[5,6]O)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5,6]O)(C[5]C[5]HH)(SC){1|O<1>,2|C<4>,4|H<1>}	111.3685	1.117	2	111.3685	1.247	2	111.3685	1.247	2	111.3685	1.247	2	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:3:4:1:	3:2:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	N[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]O[6]H)(C[5]C[6a]C[5]H)(C[6]C[6,6a]O){4|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	114.0080	0.000	1	114.0080	0.000	1	114.0080	0.000	1	114.0080	0.000	1	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:3:4:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[5,6]O){2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]CH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	109.4610	0.000	1	109.4610	0.000	1	109.4159	0.775	10	109.4159	0.775	10	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:3:4:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]CH)(O[5]C[5])(H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	108.0690	0.000	2	108.0690	0.000	2	109.4159	0.775	10	109.4159	0.775	10	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:3:4:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	110.2910	0.000	2	109.8948	0.383	6	109.4159	0.775	10	109.4159	0.775	10	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:3:4:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	109.5275	1.050	2	109.8948	0.383	6	109.4159	0.775	10	109.4159	0.775	10	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:3:4:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	109.8660	0.477	2	109.8948	0.383	6	109.4159	0.775	10	109.4159	0.775	10	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:3:4:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[6]O[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|S<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(H){1|C<3>,1|C<4>,1|S<1>,5|H<1>}	109.1910	0.000	1	109.1910	0.000	1	109.4159	0.775	10	109.4159	0.775	10	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:4:2:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:S[5]-2:H-1:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H)	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5]C[5]S[5]H)(C[6]C[5,6]O){1|N<2>,1|N<3>,1|S<2>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]N[5]H)(S[5]C[5])(H){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[5,6](C[5,6]N[5,6]S[5]H)(N[5,6]C[5]C[6])(C[5]S[5]HH)(H){1|H<1>,1|O<1>,4|C<4>}	110.0570	3.449	2	110.0570	11.897	2	110.0570	11.897	2	110.0570	11.897	2	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:4:4:1:	3:3:3:2:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-3:C[6]-3:S-2:	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]CH)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC)	N[5,6](C[5,6]C[5]C[6]S)(C[5]C[5]CH)(C[6]C[6]O){1|N<3>,2|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,1|S<2>,2|O<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]O)(C[6]N[6]O)(SC){1|O<1>,3|C<4>,3|H<1>}	114.2760	0.000	1	114.2760	0.000	1	114.2760	0.000	1	114.2760	0.000	1	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]2H)(C[6]C[6]O){2|C<4>,2|O<2>,8|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]O[5]H)(C[5]C[5]HH)(H){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|O<1>,2|C<4>,5|H<1>}	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	110.6500	0.000	1	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	4:3:3:1:	3:4:3:1:	C[5]-4:C[5,6]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H)	N[5,6](C[5]C[5,5]C[6a]H)(C[5,6]C[5]C[6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,2|O<1>,5|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5,5]HH)(C[6]N[5,6]O)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	113.2750	0.000	1	111.1230	4.416	24	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[3x5,6]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[3x5,6]-4:C[5]-4:S-4:	C[5,5,6]-4:C[5,5]-3:C[5,6]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3x5,6]C)(C[5,6]C[5,5,6]H)(N[5]C[5]S)	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5,6]S)(H)2	N[5](C[3x5,6]C[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,4|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5]C[3x5,6]C)(C[5,6]C[5,5,6]H)(N[5]C[5]S){2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[3x5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	110.9720	0.000	1	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:3:	4:4:3:3:	4:3:1:1:	C[3x5]-4:C[5]-4:C-3:	C[3x5]-4:C[5,6]-4:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]H)(N[5]C[5]C)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO){2|C<4>,3|C<3>,4|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]H)(N[5]C[5]C){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	111.6385	0.831	2	111.6385	0.690	2	112.0707	0.905	3	112.0707	0.905	3	112.0230	0.515	5	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:3:	4:4:3:3:	4:3:1:1:	C[3x5]-4:C[5]-4:C-3:	C[3x5]-4:C[5,6]-4:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(N[5]C[5]C)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[3x5]C[5,6]N[5])(C[5]C[5]HH)(COO){1|S<4>,2|C<4>,3|C<3>,3|H<1>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(N[5]C[5,6a]S)(N[5]C[5]C){1|C<4>,4|C<3>,7|H<1>}	C[5](C[5]C[3x5]HH)(N[5]C[3x5]C)(H)2{1|C<3>,1|N<3>,2|C<4>}	112.9350	0.000	1	112.9350	0.000	1	112.0707	0.905	3	112.0707	0.905	3	112.0230	0.515	5	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:3:	4:4:4:3:	4:3:1:1:	C[3x5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,5]-4:C[5]-4:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CC[6a]O)	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(N[5]C[5]C)	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	N[5](C[3x5]C[5,5]2C[5])(C[5]C[5]HH)(CC[6a]O){5|C<4>,5|H<1>}	C[3x5](C[5,5]C[5]2H)2(C[5]C[5]CH)(N[5]C[5]C){12|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{1|H<1>,3|C<4>}	111.9515	0.480	2	111.9515	0.231	2	111.9515	0.231	2	111.9515	0.231	2	112.0230	0.515	5	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:3:	3:4:3:1:	C[5,5,6]-4:C[5]-4:C-3:	C[5,5]-4:N[5,6]-3:C[6]-4:N[5]-3:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]CH)(COO)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C)	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(COO)(H)	N[5](C[5,5,6]C[5,5]N[5,6]C[6])(C[5]C[5]CH)(COO){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6]C[6]CH)(N[5]C[5]C){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](N[5]C[5,5,6]C)(C[5]C[5,5]HH)(COO)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>}	113.6190	0.000	1	113.6190	0.000	1	113.6190	0.000	1	113.6190	0.000	1	112.8543	0.565	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)	C[5,5,6](C[5,5,6]C[5,6a]C[3,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO){2|C<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[3,6]C[5])(N[5]C[5,6a]C)(C[6]C[6]HH)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,7|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>}	113.2590	0.000	1	113.2590	0.000	1	112.5835	0.913	2	112.5835	0.913	2	112.8543	0.565	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO)	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[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(COO){2|C<4>,3|C<3>,4|H<1>}	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>,2|C<3>,8|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>}	111.9080	0.000	1	111.9080	0.000	1	112.5835	0.913	2	112.5835	0.913	2	112.8543	0.565	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:3:	4:3:3:1:	C[5,5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]CH)(CCO)	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[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(COO)(H)	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]CH)(CCO){2|C<3>,3|C<4>,4|H<1>}	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[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(COO)(H){1|C<3>,1|N<3>,2|C<4>}	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	112.8543	0.565	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5,6]	4:4:3:	3:3:3:2:	4:3:4:2:	C[5,5]-4:C[5,6]-4:C-3:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	C[6]-4:N[5]-3:C[5]-4:O[6]-2:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]O[6])(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5])	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6])	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5,6]C[5]C[6]O[6])(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)(O[5]C[5]){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6]){1|N<3>,1|O<1>,4|C<3>}	111.7570	0.000	1	111.7570	0.000	1	111.7570	0.000	1	111.8835	0.032	2	111.6350	0.363	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5,6]	4:4:3:	3:3:3:2:	4:3:4:2:	C[5,6]-4:C[5,5]-4:C-3:	N[5]-3:C[5]-3:C[5]-3:O[5]-2:	C[6]-4:N[5]-3:C[5]-4:O[6]-2:	N[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5]2O[5])(COO)	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5])	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6])	N[5](C[5,6]C[5]C[6]O[6])(C[5,5]C[5]2O[5])(COO){1|C<3>,1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](N[5]C[5,6]C)(C[5]N[5]C)(C[5]N[5]O)(O[5]C[5]){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5,6](C[6]C[5,6]HH)(N[5]C[5,5]C)(C[5]O[5]HH)(O[6]C[6]){1|N<3>,1|O<1>,4|C<3>}	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	111.8835	0.032	2	111.6350	0.363	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5,6]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5,6]-4:C[6a]-3:	C[5,5]-4:N[5]-3:C[5]-3:H-1:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H)	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6]C[5]H)(N[5]C[5,6]C[6a])(C[5]N[5]O)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[5,5]N[6]H)(N[5]C[5,5]C[6a])(C[6]C[6]H)(H){3|H<1>,5|C<3>}	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	111.6350	0.363	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5,6]	4:4:3:	4:3:3:3:	4:3:3:2:	C[5,5]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[5,6]-4:C[6a]-3:N[5]-3:O[6]-2:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6])(CHO)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O)	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a])	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6a]O[6])(CHO){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5]C[5,6]C)(C[5]N[5]O){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(O[6]C[6,6a]){3|H<1>,6|C<3>}	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	112.0230	0.000	1	111.6350	0.363	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:3:2:	3:4:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	109.8140	0.085	2	109.8140	0.007	2	109.8140	0.007	2	111.0173	2.071	4	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:3:2:	3:4:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[5]-3:O[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5])	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2	N[5](C[5,5]C[5]N[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[5,5](N[5]C[6a]C[5])2(C[5]C[5]O)(O[5]C[5]){1|C<4>,4|C<3>,7|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5]HH)(H)2{1|O<2>,4|C<3>}	112.2205	0.644	2	112.2205	0.415	2	112.2205	0.415	2	111.0173	2.071	4	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:3:2:	3:4:4:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5])	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]N)(O[5]C[5]){3|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(CH3)(H){4|C<3>}	111.0510	0.000	1	111.0510	0.000	1	111.0510	0.000	1	111.0510	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:3:3:	3:3:3:3:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	N[5]-3:C[5]-3:C-3:C-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(COO)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]CC){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|C<4>,1|H<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5]C)(COO)2{5|C<3>}	111.8940	0.000	1	111.8940	0.000	1	111.8940	0.000	1	111.8940	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:4:1:	3:3:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:C[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,4|C<3>}	108.7040	0.000	1	110.4407	4.406	4	110.4407	4.406	4	110.4407	4.406	4	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:4:1:	3:3:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:C[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|H<1>,2|C<4>,3|C<3>}	108.7220	0.000	1	110.4407	4.406	4	110.4407	4.406	4	110.4407	4.406	4	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:4:1:	3:3:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:C[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5,5]C[5]2C)(H){1|O<1>,3|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	112.1685	1.131	2	110.4407	4.406	4	110.4407	4.406	4	110.4407	4.406	4	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:4:3:	3:3:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N)	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]N[5]HH){1|N<2>,1|N<3>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]HH)(C[5]N[5]N){1|C<4>,3|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,6|C<3>}	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	112.4970	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:4:3:2:	3:4:4:4:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C[5]-3:O[5]-2:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]C[5]O)(O[5]C[5])	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CH3)2	N[5](C[5,5]C[5]2O[5])(C[6a]C[6a]2)(C[5]C[5]CC){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]C[5]O)(O[5]C[5]){2|H<1>,3|C<3>,4|C<4>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5]HH)(CH3)2{1|O<2>,2|C<4>,3|C<3>}	110.8670	0.000	1	110.8670	0.000	1	110.8670	0.000	1	110.8670	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:C[5,6]-4:N[5]-3:C[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C[6a])(H)2{1|C<4>,7|C<3>}	113.9110	0.000	1	113.9110	0.000	1	113.9110	0.000	1	113.9110	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|S<4>,2|C<3>,6|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	112.3510	0.569	5	112.3510	0.324	5	112.2704	0.235	7	112.2704	0.235	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5,5]-4:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5](N[5]C[6a]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|S<4>,2|C<3>,6|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	112.0690	0.016	2	112.0690	0.000	2	112.2704	0.235	7	112.2704	0.235	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	4:3:3:2:	3:4:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<2>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){1|C<2>,5|H<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(H)2{2|N<2>,4|C<3>}	114.3200	0.000	1	114.3200	0.000	1	114.3200	0.000	1	114.3200	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	4:3:3:2:	3:4:3:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:C[6a]-3:N[5]-2:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5])	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5](C[5,5]C[5,5]C[6a]N[5])(C[6a]C[6a]2)(C[5]C[5]CH){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[6a]C[5]N[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]){4|H<1>,9|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]CH)(CC[6a]O)(H){2|N<2>,4|C<3>}	115.0660	0.000	1	115.0660	0.000	1	115.0660	0.000	1	115.0660	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:3:3:3:	3:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,6|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]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H){2|H<1>,5|C<3>}	111.1015	1.450	2	111.1015	2.103	2	111.1015	2.103	2	111.1015	2.103	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:1:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CCCH)(H){1|C<3>,1|C<4>,1|H<1>}	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	108.3280	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(H){1|H<1>,1|N<3>,1|O<1>,7|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]H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){2|H<1>,6|C<3>}	111.5090	0.000	1	111.5090	0.000	1	111.5090	0.000	1	110.2340	1.476	4	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|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]H){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	110.2340	1.476	4	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	108.8810	0.000	1	108.8810	0.000	1	108.8810	0.000	1	110.2340	1.476	4	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|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]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){3|H<1>,7|C<3>}	110.9690	0.000	1	110.9690	0.000	1	110.9690	0.000	1	110.2340	1.476	4	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H)	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]H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H){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]H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]H)(CF3)(H){1|S<2>,3|C<3>}	112.8960	0.000	1	112.8960	0.000	1	109.7670	19.581	2	109.7670	19.581	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H)	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]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H){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]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	106.6380	0.000	1	106.6380	0.000	1	109.7670	19.581	2	109.7670	19.581	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:3:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H){4|C<3>}	107.4120	0.000	1	107.4120	0.000	1	107.0965	0.199	2	107.0965	0.199	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:3:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(H){1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H){4|C<3>}	106.7810	0.000	1	106.7810	0.000	1	107.0965	0.199	2	107.0965	0.199	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:3:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]C[6a]H)(H)	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]H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,2|N<3>,5|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]H){1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|F<1>,1|O<2>,4|H<1>,5|C<3>}	107.4490	0.000	1	107.4490	0.000	1	107.4490	0.000	1	107.4490	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:2:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-3:O[5]-2:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5,6a]O)(O[5]C[5,6a])(C[5]C[5]HH)(N[5]C[5]C){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>}	113.5885	0.039	2	113.5885	0.002	2	113.5885	0.002	2	113.5885	0.002	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:3:3:3:	3:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]H)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(COO){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]H)(H)2{3|C<3>}	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	113.7300	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:3:3:4:	3:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5,6a]-3:N[5]-3:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3)	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5,6a]C[5,6a]C)(C[5]C[5,6a]HH)(CCO){4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5,6a]C[5,6a]2)(N[5]C[5]C)(CH3){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,5,6a]C[6a])(N[5]C[5,5]C)(H)2{1|C<4>,1|H<1>,3|C<3>}	110.0090	0.277	2	110.0090	0.077	2	110.0090	0.077	2	110.0090	0.077	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:3:2:1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:O[5]-2:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,2|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]O[5]CC)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(O[5]C[5])(H){2|H<1>,8|C<3>}	105.3870	0.000	1	105.3870	0.000	1	105.3870	0.000	1	105.3870	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:3:4:1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	112.8525	3.414	4	112.8525	11.657	4	112.8525	11.657	4	112.8525	11.657	4	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:2:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-3:C[5]-4:O[5]-2:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO)	C[5,5](C[5]C[5,6]O)(C[5]C[5]HH)(O[5]C[5,6])(N[5]C[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]2O[5])(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5]C[5,6]O)(C[5]C[5]HH)(O[5]C[5,6])(N[5]C[5]C){2|C<4>,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>}	113.4830	0.000	1	113.4830	0.000	1	113.4830	0.000	1	113.4830	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(CCO){1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,4|C<3>}	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	112.4100	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:3:2:	4:3:2:1:	C[5,5]-4:C[5]-4:C-3:	N[5]-3:C[5]-4:N[5]-3:O[5]-2:	C[5]-4:N[5]-3:O-2:H-1:	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HO)(CCO)	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5])	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H)	N[5](C[5,5]C[5]N[5]O[5])(C[5]C[5]HO)(CCO){1|C<4>,2|H<1>,4|C<3>}	C[5,5](N[5]C[6a]C[5])(C[5]C[5]HH)(N[5]C[5]C)(O[5]C[5]){1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]O[5]C)(N[5]C[5,5]C)(OC)(H){1|C<4>,1|N<3>,2|C<3>}	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	112.3410	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	3:3:3:1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,1|S<4>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|S<4>,2|H<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,7|C<3>}	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	3:3:4:2:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-4:O-2:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]O)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]O)(COO){1|N<2>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C)(C[5]C[5]HH)(OH){2|H<1>,5|C<3>}	114.0650	0.000	1	114.0650	0.000	1	114.0650	0.000	1	114.0650	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	3:4:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CNO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(CNO){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){2|C<3>,2|H<1>}	113.5005	0.641	2	113.5005	0.411	2	113.5005	0.411	2	113.3763	0.252	3	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	3:4:3:1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	N[5]-3:C[5]-4:C[6a]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O)	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,5|H<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[5]C[5,5]HH)(C[6a]C[6a]2)(H){2|H<1>,8|C<3>}	113.1280	0.000	1	113.1280	0.000	1	113.1280	0.000	1	113.3763	0.252	3	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)	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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO){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|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)(H){4|C<3>}	115.6190	0.000	1	115.6840	0.008	2	115.6840	0.008	2	113.3533	16.300	3	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO)	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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(COO){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>,3|H<1>,7|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(COO)(H){4|C<3>}	115.7490	0.000	1	115.6840	0.008	2	115.6840	0.008	2	113.3533	16.300	3	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:C[5,5]-4:N[5]-3:C[5]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	108.6920	0.000	1	108.6920	0.000	1	108.6920	0.000	1	113.3533	16.300	3	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	4:3:3:2:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:O-2:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CO)(CHO)	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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(OH)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CO)(CHO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(OH){4|C<3>}	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	113.3070	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:N-3:	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]HH)(NOO)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5]N)(H)	C[5](N[5]C[5,5]N)2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<3>,2|H<1>,2|N<3>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]H)(N[5]C[5]N)(H){1|O<1>,2|H<1>,2|N<3>}	C[5](N[5]C[5,5]N)2(H)2{2|H<1>,2|N<3>}	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]HH)(COO)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,2|C<3>,7|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>}	113.0120	0.000	1	113.0120	0.000	1	113.0120	0.000	1	113.0674	0.515	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.6400	0.000	1	111.6400	0.000	1	111.6400	0.000	1	113.0674	0.515	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|C<4>,2|H<1>,3|C<3>}	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[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>}	113.3980	0.000	1	113.3980	0.000	1	113.3640	0.152	5	113.0674	0.515	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]C)(H){2|C<4>,3|C<3>,4|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>}	113.6620	0.479	2	113.6620	0.230	2	113.3640	0.152	5	113.0674	0.515	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){1|Br<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]C)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	113.0200	0.000	1	113.0200	0.000	1	113.3640	0.152	5	113.0674	0.515	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(COO){2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,1|N<3>,2|C<3>}	113.0780	0.000	1	113.0780	0.000	1	113.3640	0.152	5	113.0674	0.515	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:2:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:O-2:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCO)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HO)(CCO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(N[5]C[5]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(OH)(H){2|C<3>,2|H<1>}	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	109.9200	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO)	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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO){2|C<3>,2|C<4>,2|H<1>}	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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	110.8940	0.000	1	110.8940	0.000	1	112.1891	5.583	7	112.1891	5.583	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CCO){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]N)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,2|N<3>}	109.4605	2.187	2	109.4605	4.783	2	112.1891	5.583	7	112.1891	5.583	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CC[6a]O)	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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(CC[6a]O){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){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	113.2310	0.000	1	113.2310	0.000	1	112.1891	5.583	7	112.1891	5.583	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){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]C)(N[5]C[5]C)(H){3|C<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>,1|H<1>,1|N<3>}	113.7370	0.000	1	113.7370	0.000	1	112.1891	5.583	7	112.1891	5.583	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){1|N<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	114.2900	0.000	1	114.2900	0.000	1	112.1891	5.583	7	112.1891	5.583	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO)	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(COO){2|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[6a]C[5])(N[5]C[5,6a]C)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|H<1>,1|N<3>,2|C<3>}	114.2510	0.000	1	114.2510	0.000	1	112.1891	5.583	7	112.1891	5.583	7	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(CHHO)(H){1|C<3>,1|H<1>,2|C<4>}	114.5910	0.000	1	114.5910	0.000	1	114.5910	0.000	1	114.5910	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:2:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[6a]O[5])(C[5]C[5]HH)(COO){1|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5]){1|N<3>,1|O<1>,2|C<3>,7|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|O<2>}	113.4570	0.000	1	113.4570	0.000	1	113.4570	0.000	1	113.4570	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:3:	3:3:3:1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:C[5,6a]-3:N[5]-3:C[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H){1|H<1>,8|C<3>}	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CCHH)(H){4|C<3>}	112.2510	0.000	1	112.2510	0.000	1	112.2135	0.003	2	112.2135	0.003	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C)	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]N[5]CH)(COO){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]C){1|N<3>,1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5](N[5]C[5,5]C)(N[5]C[5,5]H)(CC[6a]HH)(H){4|C<3>}	112.1760	0.000	1	112.1760	0.000	1	112.2135	0.003	2	112.2135	0.003	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]N)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	112.2110	0.000	1	112.2110	0.000	1	112.9080	0.972	2	112.9080	0.972	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(COO)	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(COO){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](C[5]C[5]HH)(C[5]C[5]C)(C[5]O[5]O)(N[5]C[5]C){1|C<4>,5|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>}	113.6050	0.000	1	113.6050	0.000	1	112.9080	0.972	2	112.9080	0.972	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[3x5]-4:C[6a]-3:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[3x5]C[6a]C[5])(C[5]C[5]HH)(CCO)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[3x5]C[6a]C[5])(C[5]C[5]HH)(CCO){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C){1|C<4>,1|N<3>,4|C<3>,7|H<1>}	C[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<4>,3|C<3>}	112.5120	0.000	1	112.5120	0.000	1	112.5120	0.000	1	112.7820	0.146	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(CC[6a]O)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]C)(CNO)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(CC[6a]O){1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]C)(CNO){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{1|N<3>,1|O<2>,2|C<3>}	113.0520	0.000	1	113.0520	0.000	1	113.0520	0.000	1	112.7820	0.146	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:4:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(N[5]C[5]C)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]N[5]C)(C[5]C[5]HH)(COO){1|F<1>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]F)(N[5]C[5,6a]C)(N[5]C[5]C)(CH3){2|C<3>,4|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|F<1>,1|N<3>}	113.3380	0.000	1	113.3380	0.000	1	113.3380	0.000	1	113.3380	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(COO)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5,6]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CO)(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,7|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>}	113.7030	0.000	1	113.7030	0.000	1	113.7030	0.000	1	112.5470	0.626	5	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,2|H<1>,4|C<4>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]CC)(N[5]C[5]C)(H){1|C<4>,7|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	111.6610	0.000	1	111.6610	0.000	1	112.2330	0.413	3	112.5470	0.626	5	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.9290	0.000	1	112.9290	0.000	1	112.2330	0.413	3	112.5470	0.626	5	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO)	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(COO){1|C<4>,3|H<1>,3|O<2>}	C[5,5](C[5,5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]C)(H){1|O<2>,5|H<1>}	C[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	112.1090	0.000	1	112.1090	0.000	1	112.2330	0.413	3	112.5470	0.626	5	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[3x5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2)	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(N[5]C[5,5]C[6a])(H)2	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[3x5,6]HH)(C[6a]C[6a]2){1|C<4>,1|O<2>,4|H<1>,5|C<3>}	C[5,5](C[3x5,6]C[3x5,6]C[5,5,6]H)(C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[3x5,6]C[3x5,6]C[5,6]O[5,5])(N[5]C[5,5]C[6a])(H)2{3|C<3>,3|C<4>,3|H<1>}	112.3330	0.000	1	112.3330	0.000	1	112.3330	0.000	1	112.5470	0.626	5	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(COO){1|C<2>,1|C<3>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]C)(H){1|C<3>,1|O<1>,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>}	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	113.6740	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:3:	3:3:2:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]S[5]H)(CCO)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(C[5]O[5]O)(N[5]C[5]C)	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5])(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[6a]S[5]H)(CCO){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]S[5]HH)(C[5]O[5]O)(N[5]C[5]C){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]C)(S[5]C[5])(H){1|C<4>,3|C<3>,4|H<1>}	116.3910	0.000	1	116.3910	0.000	1	116.3910	0.000	1	116.3910	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CHO)	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]HH)(CHO){1|C<4>,1|N<3>,1|O<1>,1|O<2>,5|H<1>}	C[5,5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]C){1|O<2>,2|C<4>,5|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>}	112.7710	0.000	1	112.7710	0.000	1	112.7710	0.000	1	112.0673	0.518	3	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]O)	C[5,5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]C)(N[5]C[5]H)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]2N[5])(C[5]C[5]HH)(CC[6a]O){1|C<3>,1|C<4>,1|O<2>,6|H<1>}	C[5,5](C[5]C[5]HH)(C[5]O[5]CH)(N[5]C[5]C)(N[5]C[5]H){1|O<1>,4|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|H<1>}	111.7155	0.541	2	111.7155	0.293	2	111.7155	0.293	2	112.0673	0.518	3	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:3:	3:4:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]CH)(CCO)	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[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5]CH)(CCO){1|C<4>,1|O<2>,3|C<3>,4|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|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	112.0220	0.775	4	112.0220	0.600	4	112.0220	0.600	4	112.0476	0.454	5	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:3:	3:4:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]CH)(CCO)	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(N[5]C[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H)	N[5](C[5,5]C[5]3)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]C)(N[5]C[5]C){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	112.1500	0.000	1	112.1500	0.000	1	112.1500	0.000	1	112.0476	0.454	5	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C){2|C<3>,2|O<2>,6|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	112.1760	0.000	1	111.2970	1.545	2	111.2970	1.545	2	111.2970	1.545	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C)	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(CCO){1|C<4>,2|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)2(N[5]C[5]C){1|O<1>,2|C<3>,6|H<1>}	C[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	110.4180	0.000	1	111.2970	1.545	2	111.2970	1.545	2	111.2970	1.545	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S){3|C<3>,5|H<1>}	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.1850	0.859	3	112.1850	0.737	3	112.1850	0.737	3	112.1850	0.737	3	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<3>,1|S<4>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	110.1820	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|H<1>,2|N<3>}	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	114.2170	0.000	1	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:4:3:	3:4:1:1:	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[5]-4:H-1: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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	113.3040	0.000	1	113.3040	0.000	1	113.3040	0.000	1	112.4955	1.307	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5]C[5]HH)2(C[5]C[5]HO)(N[5]C[5]S)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<4>,7|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]C[5]HO)(N[5]C[5]S){8|H<1>}	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	111.6870	0.000	1	111.6870	0.000	1	111.6870	0.000	1	112.4955	1.307	2	112.0880	4.522	106	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6,6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,6,6]-4:C[5]-4:C-3:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(COO)	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H)	C[5](C[5]C[5,3x6]HH)(N[5]C[5,6,6]C)(COO)(H)	N[5](C[5,6,6]C[5,3x6]C[6,6]H)(C[5]C[5]CH)(COO){1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5,6,6](C[5,3x6]C[3,6,6]N[6,6]C[5])(C[6,6]C[3x6]HO)(N[5]C[5]C)(H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,5|H<1>}	C[5](C[5]C[5,3x6]HH)(N[5]C[5,6,6]C)(COO)(H){1|H<1>,1|N<2>,2|C<4>}	111.7660	0.000	1	111.7660	0.000	1	111.7660	0.000	1	112.6727	1.013	3	112.2657	1.338	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6,6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO){2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2C)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H){2|C<4>,2|H<1>}	113.7560	0.000	1	113.7560	0.000	1	113.1260	0.794	2	112.6727	1.013	3	112.2657	1.338	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6,6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,6,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[3x6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO)	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H)	N[5](C[5,6,6]C[5,6,6]C[3x6]H)(C[5]C[5]CH)(COO){1|C<4>,2|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[3x6]C[5]H)(C[3x6]C[6,6]2H)(N[5]C[5]C)(H){1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6,6]C)(COO)(H){2|C<4>,2|H<1>}	112.4960	0.000	1	112.4960	0.000	1	113.1260	0.794	2	112.6727	1.013	3	112.2657	1.338	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6,6]	C[5]	4:4:4:	4:3:4:3:	4:3:1:1:	C[5,6,6]-4:C[5]-4:S-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-4:N[5]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(SC[6a]OO)	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6,6]S)(H)2	N[5](C[5,6,6]C[5,6,6]C[6,6a]C[6])(C[5]C[5,6]HH)(SC[6a]OO){2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,6]C[6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]HH)(N[5]C[5]S){2|C<3>,3|C<4>,7|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6,6]S)(H)2{1|C<3>,2|H<1>,4|C<4>}	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	111.0450	0.000	1	112.2657	1.338	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5,6]	4:4:1:	3:4:4:4:	3:4:4:4:	C[5,6]-4:C[5,6]-4:O-1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	N[5](C[5,6]C[5]C[6]2)2(O)	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2	N[5](C[5,6]C[5]C[6]2)2(O){10|H<1>,2|C<2>,4|C<4>}	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2{1|C<2>,3|C<4>,5|H<1>}	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2{1|C<2>,3|C<4>,5|H<1>}	116.4420	0.000	1	116.4420	0.000	1	115.9055	0.576	2	115.9055	0.576	2	114.1005	4.552	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5,6]	4:4:1:	3:4:4:4:	3:4:4:4:	C[5,6]-4:C[5,6]-4:O-1:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	N[5]-3:C[5]-4:C[6]-4:C[6]-4:	N[5](C[5,6]C[5]C[6]2)2(O)	C[5,6](N[5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)2	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2	N[5](C[5,6]C[5]C[6]2)2(O){11|H<1>,1|C<3>,4|C<4>}	C[5,6](N[5]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,3|C<4>,5|H<1>}	C[5,6](N[5]C[5,6]O)(C[5]C[5]CH)(C[6]C[6]HH)2{3|C<4>,6|H<1>}	115.3690	0.000	1	115.3690	0.000	1	115.9055	0.576	2	115.9055	0.576	2	114.1005	4.552	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5,6]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	C[5,6]-4:N[5]-3:C[6]-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)2(CCO)	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H)	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H)	N[5](C[5,6]C[5,6]C[6]H)2(CCO){4|O<2>,6|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(C[6]O[6]HH)(H){1|O<2>,2|C<4>,2|H<1>}	112.1390	0.000	1	112.1390	0.000	1	112.1390	0.000	1	112.1390	0.000	1	114.1005	4.552	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5,6]	4:4:4:	3:3:3:4:	3:3:4:1:	C[5,6]-4:C[5,6]-4:S-4:	C[6,6a]-3:C[5]-3:N[5]-3:C[6]-4:	C[5,6]-3:N[5]-3:C[6]-4:H-1:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]H)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]H)(N[5]C[5,6]S)(C[6]O[6]HH)	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,6]S)(C[6]C[6]HH)(H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5,6]C[5,6]C[6]H)(SC[6a]OO){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,6]H)(N[5]C[5,6]S)(C[6]O[6]HH){2|C<3>,2|H<1>,3|C<4>}	C[5,6](C[5,6]C[5]C[6])(N[5]C[5,6]S)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	112.4520	0.000	1	114.1005	4.552	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:3:4:	3:3:4:4:	3:4:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6,6a]-3:N[5]-3:C[6]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH)	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(H)2	N[5](C[5,6]C[6,6a]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.3910	0.000	1	111.3910	0.000	1	111.3910	0.000	1	111.3910	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:3:4:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.6050	0.407	6	111.6050	0.166	6	111.4406	0.328	7	111.4406	0.328	7	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:3:4:	3:4:3:1:	3:4:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|C<4>,1|N<3>,4|C<3>,6|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.4540	0.000	1	110.4540	0.000	1	111.4406	0.328	7	111.4406	0.328	7	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:3:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|S<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]S[6]H)(N[5]C[6a]C[5])(H){1|N<3>,1|O<2>,3|H<1>,3|O<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C[6a])(H)2{1|S<4>,2|H<1>,5|C<3>}	112.0700	0.000	1	112.0700	0.000	1	112.0700	0.000	1	112.0700	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:3:4:	4:3:3:1:	3:4:2:1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	N[5]-3:C[5]-4:C-2:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H){1|N<2>,2|H<1>,3|C<3>}	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:4:3:1:	4:3:4:3:	C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[5a]HH)(COO)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[5a]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	108.3540	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	3:3:2:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:N[5]-3:F-1:F-1:	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[5](C[5,6]O[5,6]O[6]C)(N[5]C[5,6]C[6a])(F)2	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]FF)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[5](C[5,6]O[5,6]O[6]C)(N[5]C[5,6]C[6a])(F)2{1|H<1>,4|C<3>}	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	108.5200	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	3:3:2:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:N[5]-3:O[5,6]-2:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H)	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]CH)(C[6a]C[6a]2){1|O<2>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5]C[6a]C[5])(O[5,6]C[5,6])(H){1|O<2>,2|H<1>,6|C<3>}	C[5](C[5,6]O[5,6]C[6a]O[6])(N[5]C[5,6]C[6a])(COO)(H){1|H<1>,6|C<3>}	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	108.1490	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	3:3:4:3:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-3:N[5]-3:C[6]-4:C-3:	N[5]-3:C[5]-3:C[6a]-3:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(C[6]N[6]HH)(CHO){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]2)(H){1|C<4>,2|H<1>,6|C<3>}	111.1950	0.000	1	111.1950	0.000	1	111.1950	0.000	1	111.1950	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:C[6a]-3:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[6a]C[5])(H){1|N<2>,5|H<1>,6|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	111.6560	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	5:3:4:4:	C[5,6]-4:C[5]-4:C[6a]-3:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[3,3,6]-5:N[5]-3:C[5]-4:C-4:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[3,3,6]C[5]C)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[5](C[3,3,6]O[3,3]O[3,6]O[3]O[6])(N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[3,3,6]C[5]C)(C[6a]C[6a]2){1|C<4>,2|O<2>,2|O<3>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|C<5>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[3,3,6]O[3,3]O[3,6]O[3]O[6])(N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3){1|C<4>,2|C<2>,2|H<1>,3|C<3>}	110.9000	0.000	2	110.9000	0.000	2	110.9000	0.000	2	110.9000	0.000	2	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:2:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]H)(O[6]C[6,6a])(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]HH)(CC[6a]O){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){1|O<2>,2|C<3>,5|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>}	110.7795	0.363	2	110.7795	0.132	2	110.7795	0.132	2	110.7795	0.132	2	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:3:2:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:N[5]-3:O[6]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)(CC[6a]O)	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]O[6]H)(C[5]C[5]CH)(CC[6a]O){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]O)(N[5]C[5]C)(O[6]N[6])(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|H<1>,2|O<2>}	113.2470	0.000	1	113.2470	0.000	1	113.2470	0.000	1	113.2470	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<3>,1|C<4>,2|H<1>,4|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,4|N<3>}	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	111.5170	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(COO)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]C)(H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]C)(H){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,1|O<2>,2|C<3>}	111.7263	0.648	3	111.7263	0.420	3	111.7263	0.420	3	111.7263	0.420	3	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:3:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO)	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO){2|N<3>,2|O<1>,4|H<1>}	C[5,6](C[5]C[5]HH)(C[6]N[6]O)2(N[5]C[5]C){1|C<3>,1|C<4>,5|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	113.9480	0.000	1	113.9480	0.000	1	113.9480	0.000	1	113.9480	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	3:2:4:4:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(COO)	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(COO){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[6]O[5]H)(C[6]C[6]HH)(N[5]C[5]C)(H){2|H<1>,2|O<2>,3|C<4>}	C[5](N[5]C[5,6]C)(O[5]C[5,6])(CH3)2{2|C<4>,2|H<1>}	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	109.3800	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(COO)	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H)	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(COO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5,6]C[5]C[6]O[5])(N[5]C[5]C)(H){1|C<3>,1|N<3>,1|O<1>,3|C<4>,9|H<1>}	C[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	111.5240	0.000	1	111.5240	0.000	1	111.5240	0.000	1	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO)	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(COO){1|I<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HI)(C[6]C[6]HO)(N[5]C[5]C)(H){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2{1|I<1>,2|C<4>,4|H<1>}	111.5770	0.000	1	111.5770	0.000	1	111.5770	0.000	1	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,2|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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	110.3310	0.000	1	110.5217	0.027	3	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	110.6170	0.000	2	110.5217	0.027	3	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){1|C<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	112.0140	0.000	1	111.6620	0.248	2	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	111.3100	0.000	1	111.6620	0.248	2	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,1|C<4>,1|O<2>,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<4>,1|O<1>,6|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	112.1410	0.000	1	112.0265	0.026	2	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|O<2>,2|C<3>,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|O<1>,5|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>,1|O<2>}	111.9120	0.000	1	112.0265	0.026	2	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5a,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H){2|C<3>,6|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>}	112.1360	0.000	1	112.1360	0.000	1	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O)	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O){3|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	109.0880	0.000	1	109.0880	0.000	1	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO){2|C<4>,5|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<4>,8|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	111.9780	0.000	1	111.9780	0.000	1	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|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>,7|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	110.7810	0.000	1	110.7810	0.000	1	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){2|C<4>,5|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>,8|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	112.2170	0.000	1	112.2170	0.000	1	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(N[5]C[5]C)(H){3|C<3>,8|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	111.9060	0.000	1	111.9060	0.000	1	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	C[5,6](C[5,6]C[5]O[6]H)(C[6]O[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){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|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	112.3990	0.000	1	112.3990	0.000	1	111.3891	0.930	14	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[6]-4:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O)	C[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6]C[5,6]C[6a]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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	109.1890	0.000	1	109.1890	0.000	1	109.1890	0.000	1	111.2786	1.048	17	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO){2|C<4>,5|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<2>,6|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){2|C<4>,2|H<1>}	112.4370	0.000	1	112.2567	0.046	6	112.3566	0.592	10	112.3566	0.592	10	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CCO){2|C<4>,5|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>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){2|C<4>,2|H<1>}	112.2206	0.217	5	112.2567	0.046	6	112.3566	0.592	10	112.3566	0.592	10	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(CC[6a]O){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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	111.4500	0.563	2	111.4500	0.317	2	112.3566	0.592	10	112.3566	0.592	10	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO){2|C<4>,5|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|Cl<1>,1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){2|C<4>,2|H<1>}	113.2700	0.000	1	113.2700	0.000	1	112.3566	0.592	10	112.3566	0.592	10	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HO)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(COO){1|O<2>,2|C<3>,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){1|O<1>,2|C<3>,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>}	113.8560	0.000	1	113.8560	0.000	1	112.3566	0.592	10	112.3566	0.592	10	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:2:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:C-2:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO)	C[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(CN)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(CCO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]C)(C[6]C[6]HH)(N[5]C[5]C)(CN){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<2>,1|C<3>,2|C<4>}	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	112.5610	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCO)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCO){3|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[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	112.6178	0.221	4	112.4245	0.060	13	112.4409	0.138	15	112.4409	0.138	15	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCO)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCO){3|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>,8|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	112.3930	0.000	1	112.4245	0.060	13	112.4409	0.138	15	112.4409	0.138	15	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCO)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CCO){3|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){2|C<4>,7|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	112.3319	0.224	8	112.4245	0.060	13	112.4409	0.138	15	112.4409	0.138	15	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]O)	C[5,6](C[5]C[5]HS)(C[6]C[6]HH)2(N[5]C[5]C)	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(CC[6a]O){1|S<2>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5]HS)(C[6]C[6]HH)2(N[5]C[5]C){2|C<4>,7|H<1>}	C[5](N[5]C[5,6]C)(C[5]C[5]CH)(H)2{1|H<1>,1|S<2>,2|C<4>}	111.7760	0.000	1	111.7760	0.000	1	112.4409	0.138	15	112.4409	0.138	15	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO)	C[5,6](C[5]C[5]HH)(C[6]C[6]CH)(C[6]C[6]HH)(N[5]C[5]C)	C[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(COO){3|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<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>}	113.3180	0.000	1	113.3180	0.000	1	112.4409	0.138	15	112.4409	0.138	15	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	3:3:3:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:C-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(SCOO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(SCOO){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(COO)(H){1|H<1>,2|C<4>}	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.3170	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:S-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[5]S)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,4|H<1>}	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	112.4230	0.000	1	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,5,6,6]-4:C[6]-3:N[5]-3:C-4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[3x5,6]HH)(SC[6a]OO)	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[5](C[3x5,6]C[5,5,6,6]C[5,6]O[5,5])(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6,6]C[6]C)(C[5]C[3x5,6]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5,6](C[5,5,6,6]C[3x5,6]C[5,6,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[3x5,6]C[5,5,6,6]C[5,6]O[5,5])(N[5]C[5,6]S)(H)2{2|C<3>,2|H<1>,3|C<4>}	114.2060	0.000	1	114.2060	0.000	1	114.2060	0.000	1	112.9513	0.736	4	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CCHH){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	112.3820	0.000	1	112.3820	0.000	1	112.5330	0.054	3	112.9513	0.736	4	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	112.6085	0.272	2	112.6085	0.074	2	112.5330	0.054	3	112.9513	0.736	4	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S)	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<4>,7|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]HH)(C[6]C[6]HO)(N[5]C[5]S){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	111.5360	0.000	1	111.5360	0.000	1	110.8525	0.934	2	110.8525	0.934	2	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5]-4:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)2(N[5]C[5]S)	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>,7|H<1>}	C[5,6](C[5]C[6a]C[5]H)(C[6]C[6]HH)2(N[5]C[5]S){1|C<4>,2|C<3>,8|H<1>}	C[5](N[5]C[5,6]S)(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,2|C<4>}	110.1690	0.000	1	110.1690	0.000	1	110.8525	0.934	2	110.8525	0.934	2	111.7141	1.391	77	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:1:	4:3:3:1:	3:3:3:3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	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)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5,5]C[6a]H)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|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>}	105.1255	0.095	2	105.1255	0.009	2	105.1255	0.009	2	105.1255	0.009	2	106.3508	12.176	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:1:	4:3:3:1:	4:4:3:3:	C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]CH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H){3|C<3>,3|H<1>}	103.6700	0.000	1	103.6700	0.000	1	103.6700	0.000	1	103.6700	0.000	1	106.3508	12.176	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CC[6a]O)	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(CC[6a]O){1|C<4>,1|I<1>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HI)(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]O)(N[5]C[5]C)(H){1|I<1>,3|C<3>,3|H<1>}	111.4820	0.000	1	111.4820	0.000	1	111.4820	0.000	1	111.4820	0.000	1	106.3508	12.176	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5,6]	4:4:3:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[4,6]-4:C[5,6]-4:N[5]-3:H-1:	N[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(COO)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H)	N[5](C[5,6]C[4,6]C[5,6]H)(C[5]C[5,6]C[6a]H)(COO){1|Br<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){1|Br<1>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[4,6]C[4,6]O[4]H)(C[5,6]C[5,6]BrH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,3|H<1>}	112.9600	0.000	1	112.9600	0.000	1	112.9600	0.000	1	112.3817	0.252	3	112.0542	0.597	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5,6]	4:4:3:	4:3:3:1:	4:4:3:1:	C[5,6]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(COO)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]C)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(COO){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H){2|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){2|C<3>,7|H<1>}	112.0925	0.040	2	112.0925	0.002	2	112.0925	0.002	2	112.3817	0.252	3	112.0542	0.597	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5,6]	4:4:3:	4:3:3:3:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:C[6a]-3:C-3:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]C[6a]C)(C[6a]C[6a]2)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO)	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5,6]C[6a]C)(C[6a]C[6a]2){1|C<4>,5|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5,6]C[6a])(C[6a]C[6a]2)(COO){1|N<3>,5|H<1>,6|C<3>}	C[5,6](C[5,6]C[5,6]HH)(N[5]C[6a]C[5])(N[6]C[6,6a]C)(H){1|H<1>,6|C<3>}	111.0720	0.000	1	111.0720	0.000	1	111.0720	0.000	1	111.0720	0.000	1	112.0542	0.597	4	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:2:4:4:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:O[5]-2:C-4:C-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(O[5]C[5])(CCHH)(CCl3){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<3>,2|C<4>}	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	109.9880	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|N<2>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(H)2{1|N<2>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(H)2{2|C<3>,3|H<1>}	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	113.7110	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:2:4:4:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2	N[5](C[6a]N[6a]2)(C[5]C[5]HH)(C[5]O[5]CC){2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(H)2{2|C<4>,2|N<2>}	C[5](N[5]C[6a]C[5])(O[5]C[5])(CH3)2{2|N<2>,4|H<1>}	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	110.5350	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:3:2:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:O-2:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])2(OC)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HO){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|O<2>,3|C<3>}	C[5](N[5]C[6a]C[5])2(OC)(H){4|C<3>,4|H<1>}	110.3640	1.471	2	110.3640	2.163	2	110.3640	2.163	2	110.3640	2.163	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:3:3:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H){4|C<3>,4|H<1>}	112.3520	0.000	1	112.3520	0.000	1	112.3520	0.000	1	112.3520	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	B[5]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](B[5]C[5]N[5])(C[5]C[5]HH)2	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2	N[5](B[5]C[5]N[5])(C[5]C[5]HH)2{3|C<3>,6|H<1>}	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](N[5]B[5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,4|H<1>}	110.1110	0.000	1	110.1110	0.000	1	110.1110	0.000	1	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]C[5a]S[5a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|S<2>,4|H<1>}	112.5850	0.000	1	112.5850	0.000	1	112.7150	0.458	7	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,1|N<2>,5|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	114.0130	0.000	1	112.6645	0.888	4	112.7150	0.458	7	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<3>,2|N<2>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	112.0680	0.331	2	112.6645	0.888	4	112.7150	0.458	7	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]N[5a]2)(C[5]C[5]HH)2{1|C<4>,2|N<2>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	112.5090	0.000	1	112.6645	0.888	4	112.7150	0.458	7	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|S<2>,4|H<1>}	C[5](N[5]C[5a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|S<2>,4|H<1>}	112.8810	0.010	2	112.8810	0.000	2	112.7150	0.458	7	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[5,6]C[6])(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[5,6]C[6])(C[5]C[5]HH)2{1|Fe<10>,1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	110.7210	0.000	1	110.7210	0.000	1	111.8493	1.077	3	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6]N[6])(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]N[6])(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,4|H<1>}	112.4135	0.494	2	112.4135	0.244	2	111.8493	1.077	3	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	111.0115	0.117	2	111.0115	0.014	2	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[5a,6a]C[6a])(C[5]C[5]HH)2{1|N<2>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	110.8680	0.000	1	110.8680	0.000	1	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	112.1947	0.574	9	112.1947	0.329	9	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6,6a]C[6a])(C[5]C[5]HH)2{1|C<2>,1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	109.4550	0.184	2	109.4550	0.034	2	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.6040	0.000	1	111.6040	0.000	1	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<2>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	110.7650	0.000	1	111.5732	1.071	13	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|O<2>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	110.5400	0.000	1	111.5732	1.071	13	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	112.0349	0.888	9	111.5732	1.071	13	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	110.4165	0.470	2	111.5732	1.071	13	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{1|C<2>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	111.6090	0.270	7	112.0846	0.388	14	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]HH)2{2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	112.5601	0.490	7	112.0846	0.388	14	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	110.4290	0.000	1	111.7911	1.061	8	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|N<2>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|N<2>,4|H<1>}	112.6008	0.673	4	111.7911	1.061	8	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]N[6a]2)(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	111.1657	0.454	3	111.7911	1.061	8	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]N[6a]O[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]N[6a]O[6a])(C[5]C[5]HH)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,4|H<1>}	113.4210	0.000	1	113.4210	0.000	1	111.7754	0.939	51	111.8582	0.990	62	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:4:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){2|C<3>,4|H<1>}	111.7610	0.000	1	111.7610	0.000	1	112.2977	0.275	6	112.2977	0.275	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:4:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(H){2|C<3>,4|H<1>}	112.6135	0.231	4	112.6135	0.053	4	112.2977	0.275	6	112.2977	0.275	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:4:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){2|C<3>,4|H<1>}	111.5710	0.000	1	111.5710	0.000	1	112.2977	0.275	6	112.2977	0.275	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:2:1:	3:3:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:O-2:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H)	C[5](N[5]C[6a]C[5])2(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HO)(C[5]N[5]HH){1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HO)(OC)(H){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])2(H)2{2|H<1>,2|O<2>,4|C<3>}	112.6000	0.762	2	112.6000	0.581	2	112.6000	0.581	2	112.6000	0.581	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:2:1:	3:4:2:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-2:H-1:	N[5]-3:C[5]-4:C-2:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H){1|C<2>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CN)(H){1|C<2>,2|C<3>,3|H<1>}	112.3100	0.000	1	112.3100	0.000	1	112.3100	0.000	1	112.3100	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:3:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)(H){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	112.8410	0.202	2	112.8410	0.041	2	112.8410	0.041	2	112.8410	0.041	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:3:3:	3:4:3:3:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-3:C-3:	N[5]-3:C[5]-4:C-3:C-3:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2{2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CNO)2{2|H<1>,4|C<3>}	114.3575	0.555	2	114.3575	0.308	2	114.3575	0.308	2	114.3575	0.308	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[6a]CH)(H){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	113.6350	0.000	1	113.6350	0.000	1	112.9240	1.011	2	112.9240	1.011	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CC[5a]HN)(H){1|C<3>,1|N<2>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<2>,3|H<1>}	112.2130	0.000	1	112.2130	0.000	1	112.9240	1.011	2	112.9240	1.011	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	110.1260	0.000	1	110.1260	0.000	1	111.2805	2.666	2	111.2805	2.666	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CHHO)(H){1|C<4>,2|C<3>,3|H<1>}	112.4350	0.000	1	112.4350	0.000	1	111.2805	2.666	2	111.2805	2.666	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:3:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(CNO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCHH)(CNO){2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	111.3070	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:4:	3:4:2:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:O-2:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HO){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(OC[5])(H){2|C<3>,2|C<4>,2|H<1>}	114.1515	0.207	2	114.1515	0.043	2	114.1515	0.043	2	114.1515	0.043	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:4:	3:4:3:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:B-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BBH)(H){2|C<3>,2|C<4>,2|H<1>}	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	112.8060	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(H)2{3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{3|C<3>,3|H<1>}	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	111.4020	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:1:1:	C-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](CC[5x3,5x5,20x6]O)(C[5]C[5]HH)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	110.2130	0.520	6	110.2130	0.271	6	110.2130	0.271	6	110.8551	0.877	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:1:1:	C[5]-3:C[5]-4:C[5]-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[5,6]N[5])(C[5]C[5]HH)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6]N[5])(C[5]C[5]HH)2{1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|N<3>,4|H<1>}	111.2065	0.465	2	111.2065	0.216	2	111.2054	0.886	11	110.8551	0.877	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:1:1:	C[5]-3:C[5]-4:C[5]-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[5,6a]C[5])(C[5]C[5]HH)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]C[5])(C[5]C[5]HH)2{1|N<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{2|C<3>,4|H<1>}	110.5340	0.000	1	110.5340	0.000	1	111.2054	0.886	11	110.8551	0.877	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:1:1:	C[5]-3:C[5]-4:C[5]-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[5,6a]N[5])(C[5]C[5]HH)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]N[5])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|N<2>,4|H<1>}	111.9755	0.177	2	111.9755	0.032	2	111.2054	0.886	11	110.8551	0.877	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:1:1:	C[5]-3:C[5]-4:C[5]-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[5,6a]O[5])(C[5]C[5]HH)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]O[5])(C[5]C[5]HH)2{1|I<3>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|O<2>,4|H<1>}	110.3410	0.000	1	110.3410	0.000	1	111.2054	0.886	11	110.8551	0.877	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:1:1:	C[5]-3:C[5]-4:C[5]-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]O[5])(C[5]C[5]HH)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]O[5])(C[5]C[5]HH)2{1|B<4>,1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<4>,1|O<2>,4|H<1>}	110.7470	0.827	4	110.7470	0.684	4	111.2054	0.886	11	110.8551	0.877	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:1:1:	4:3:1:1:	C[5]-3:C[5]-4:C[5]-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]N[5]O[5])(C[5]C[5]HH)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]N[5]O[5])(C[5]C[5]HH)2{1|C<4>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|O<2>,4|H<1>}	113.0320	0.000	1	113.0320	0.000	1	111.2054	0.886	11	110.8551	0.877	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:3:1:	3:4:3:2:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[5]-4:C-3:O-2:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]CO)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]CO){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(CC[6a]O)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH){2|H<1>,4|C<3>}	112.4700	0.000	1	112.4700	0.000	1	112.4700	0.000	1	112.4700	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	113.1890	0.000	1	113.1890	0.000	1	112.1688	0.315	6	112.1688	0.315	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.0675	0.196	4	111.9648	0.082	5	112.1688	0.315	6	112.1688	0.315	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|C<3>,3|N<3>,5|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.5540	0.000	1	111.9648	0.082	5	112.1688	0.315	6	112.1688	0.315	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:2:4:	3:4:4:1:	C[5]-4:C[6a]-3:C[5]-4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<4>,3|C<3>}	110.2180	0.000	1	110.2180	0.000	1	110.2180	0.000	1	110.2180	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:3:1:	C[5]-4:C[6]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[6]C[6]N[6])(C[5]C[5]CH)	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]H)(CN[6]O)(H)	N[5](C[5]C[6a]C[5]H)(C[6]C[6]N[6])(C[5]C[5]CH){4|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|N<3>,4|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]H)(CN[6]O)(H){1|N<3>,2|C<3>,2|H<1>}	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H){6|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:3:4:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:B[5a]-3:B[5a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]B[5a]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[5a]O[5a]2)2(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[5a]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[5](N[5]C[6a]C[5])(B[5a]O[5a]2)2(C[5]C[5]CC){2|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|B<3>,2|C<3>,2|C<4>}	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	113.3120	0.000	1	113.3120	0.000	1	113.6705	0.257	2	113.3077	0.523	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){4|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(H)2{3|C<3>,3|H<1>}	114.0290	0.000	1	114.0290	0.000	1	113.6705	0.257	2	113.3077	0.523	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	112.5820	0.000	1	112.5820	0.000	1	112.5820	0.000	1	113.3077	0.523	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:3:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|O<2>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HO)(COO)(H){3|C<3>,3|H<1>}	113.2380	0.000	1	113.2380	0.000	1	113.2380	0.000	1	113.2380	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:B[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[5]B[5]C[5])(C[5]C[5]CC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|B<3>,2|C<3>,2|H<1>,5|C<4>}	C[5](N[5]C[6a]C[5])(B[5]B[5]C[5])(C[5]C[5]CC)(H){3|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	107.0380	0.000	1	107.0380	0.000	1	109.8545	15.865	2	111.3667	14.793	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:B[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(B[5]B[5]O[5])(C[5]C[5]CC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[5]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|B<4>,1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(B[5]B[5]O[5])(C[5]C[5]CC)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<3>,1|H<1>,2|C<3>,2|C<4>}	112.6710	0.000	1	112.6710	0.000	1	109.8545	15.865	2	111.3667	14.793	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[5](N[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]CC)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	114.3910	0.000	1	114.3910	0.000	1	114.3910	0.000	1	111.3667	14.793	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:2:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:C-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]HH){5|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(CN){5|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<2>,2|H<1>,3|C<3>}	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	110.7500	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:1:1:	3:3:4:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6]-3:N[5]-4:H-1:	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]CdC)(H)	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cd<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Cd<5>,1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]CdC)(H){4|C<3>,5|H<1>}	109.1370	0.000	1	109.1370	0.000	1	109.1370	0.000	1	109.1370	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:1:1:	3:4:4:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:Si-4:H-1:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,2|F<1>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|Si<4>,1|H<1>,2|C<3>,2|F<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(SiC3)(H){1|C<4>,2|C<3>,3|H<1>}	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	111.0440	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:4:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:N-3:H-1:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]C[5])(H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,2|N<3>,6|C<3>}	108.6740	0.025	2	108.6740	0.001	2	109.2837	0.961	4	109.2837	0.961	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:3:1:	3:3:4:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:N-3:H-1:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN)	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H)	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H)	N[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HN){3|C<3>,3|N<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HN)(NC[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,2|N<3>,6|C<3>}	109.8935	1.182	2	109.8935	1.396	2	109.2837	0.961	4	109.2837	0.961	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:3:3:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:B[5]-3:B[5]-3:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]B[5]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[5]O[5]2)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[5]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[5]O[5]2)2{2|C<3>,2|H<1>,6|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|B<3>,2|C<3>,2|C<4>}	110.9670	0.426	3	110.9670	0.181	3	110.9670	0.181	3	111.2150	0.367	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:3:3:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:B[6]-3:B[6]-3:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]B[6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[6]O[6]2)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]B[6]2C[5])(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>,4|O<2>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(B[6]O[6]2)2{2|C<3>,2|H<1>,6|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{2|B<3>,2|C<3>,2|C<4>}	111.9590	0.000	1	111.9590	0.000	1	111.9590	0.000	1	111.2150	0.367	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:4:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Ga-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	111.2350	0.000	1	111.2350	0.000	1	111.0960	0.039	2	111.0960	0.039	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:4:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Ga-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	110.9570	0.000	1	110.9570	0.000	1	111.0960	0.039	2	111.0960	0.039	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:4:4:	3:4:3:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:Si-3:H-1:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiI)(H)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<3>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiSiI)(H){2|C<3>,2|C<4>,2|H<1>}	115.4310	0.055	2	115.4310	0.003	2	115.4310	0.003	2	115.4310	0.003	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	112.1635	1.061	2	112.1635	1.127	2	112.1635	1.127	2	112.1635	1.127	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:2:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:S[5]-2:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]CC)	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5])(COO)2	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]S[5]CC){2|H<1>,6|C<3>}	C[5](C[5]C[6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5])(COO)2{1|H<1>,5|C<3>}	116.6660	0.542	2	116.6660	0.293	2	116.6660	0.293	2	116.6660	0.293	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:3:3:1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[6a]C[5])(COO)(H){1|C<4>,1|H<1>,5|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>}	112.6780	0.000	1	112.6780	0.000	1	112.6780	0.000	1	112.6780	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:P-3:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|P<3>,2|C<3>,2|C<4>}	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	110.0050	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:3:3:	3:4:3:2:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C[6a]-3:C-3:	N[5]-3:C[5]-4:C-3:O-2:	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CO)	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH)	N[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(C[5]C[5]CO){5|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(COO){1|O<2>,4|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(COO)(OH){1|H<1>,5|C<3>}	113.3470	0.406	2	113.3470	0.165	2	113.3470	0.165	2	113.3470	0.165	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:4:1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	113.6680	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC3)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	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[5](C[5]N[5]O)(N[5]C[5]H)(CC3)(H){1|C<3>,1|C<4>,1|H<1>}	110.6270	0.245	2	110.6270	0.060	2	109.1790	6.320	3	109.1790	6.320	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	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[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	106.2830	0.000	1	106.2830	0.000	1	109.1790	6.320	3	109.1790	6.320	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	3:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:N[5]-3:C-4:C-3:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC[6a]HH)(COO)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){4|C<3>}	C[5](C[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,1|O<1>,3|C<3>}	112.3160	0.000	1	112.3160	0.000	1	112.3160	0.000	1	112.2705	0.004	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	3:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:C-3:	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(COO)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CC)(H){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CC[6a]HH)(COO){1|H<1>,1|O<2>,3|C<3>}	112.2250	0.000	1	112.2250	0.000	1	112.2250	0.000	1	112.2705	0.004	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(COO)(H){1|H<1>,2|C<3>}	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	108.3500	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:3:	3:3:3:3:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-3:C-3:	C[5]-3:N[5]-3:C-3:C-3:	N[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]H)(N[5]C[5]O)(COO)2	C[5](C[5]C[5]H)(N[5]C[5]O)(COO)2	N[5](C[5]C[5]CC)2(O){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]O)(COO)2{1|H<1>,2|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]O)(COO)2{1|H<1>,2|C<3>}	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:3:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-3:C-3:	N[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]N[5]C)(N[5]C[5]O)(CHH)2	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|Ni<6>,1|C<3>}	C[5](C[5]N[5]C)(N[5]C[5]O)(CHH)2{1|Ni<6>,2|C<4>}	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2{3|C<3>}	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:4:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	106.2658	1.483	6	106.2658	2.198	6	106.2658	2.198	6	106.2658	2.198	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:3:	3:3:4:3:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-3:	C[5]-3:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]H)(N[5]C[5]O)(CCHH)(COO)	C[5](C[5]C[5]H)(N[5]C[5]O)(CCHH)(COO)	N[5](C[5]C[5]CC)2(O){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]O)(CCHH)(COO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]O)(CCHH)(COO){1|C<3>,1|C<4>,1|H<1>}	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	114.2950	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:3:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-3:	N[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)(CHH)	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|Ni<6>,1|C<3>}	C[5](C[5]N[5]C)(N[5]C[5]O)(CH3)(CHH){1|Ni<6>,2|C<4>}	C[5](N[5]C[5]Ni)(N[5]C[5]O)(CH3)2{1|C<4>,2|C<3>}	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	113.3020	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:2:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	N[5]-3:N[5]-2:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]N[5]CC)(O)	C[5](C[5]N[5]2)(N[5]C[5]O)(CH3)2	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2	N[5](C[5]C[5]CC)(C[5]N[5]CC)(O){1|N<3>}	C[5](C[5]N[5]2)(N[5]C[5]O)(CH3)2{1|C<3>,3|C<4>}	C[5](N[5]C[5]O)(N[5]C[5])(CH3)2{1|N<3>,2|C<4>}	113.1910	0.000	1	113.1910	0.000	1	113.1910	0.000	1	113.1910	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5,5a]-3:N[5]-3:C-4:C-4:	C[5,5a]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5,5a]CC)2(O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]O)(CH3)2	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,5a]CC)2(O){1|C<3>,1|S<2>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,1|S<2>,2|C<4>}	C[5](C[5,5a]C[5,5a]S[5a])(N[5]C[5]O)(CH3)2{2|C<3>,2|C<4>}	116.4020	0.000	1	116.4020	0.000	1	116.4020	0.000	1	115.4706	0.352	26	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5,6a]CC)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,6a]CC)2(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	115.8882	0.521	9	115.8744	0.243	10	115.8744	0.243	10	115.4706	0.352	26	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5,6a]CC)2(O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,6a]CC)2(O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{2|C<4>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{2|C<4>,3|C<3>}	115.7500	0.000	1	115.8744	0.243	10	115.8744	0.243	10	115.4706	0.352	26	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5]CC)2(O){1|C<2>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<2>,2|C<4>}	115.4555	0.063	2	115.1590	0.200	13	115.1393	0.177	15	115.4706	0.352	26	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5]CC)2(O){1|C<3>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{1|C<3>,2|C<4>}	115.1051	0.468	11	115.1590	0.200	13	115.1393	0.177	15	115.4706	0.352	26	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2	C[5](C[5]C[5]S)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5]CC)2(O){1|C<4>,1|S<2>}	C[5](C[5]C[5]C)(N[5]C[5]O)(CH3)2{1|S<2>,2|C<4>}	C[5](C[5]C[5]S)(N[5]C[5]O)(CH3)2{3|C<4>}	115.1400	0.000	1	115.1400	0.000	1	115.1393	0.177	15	115.4706	0.352	26	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]C[6])(N[5]C[5]O)(CH3)2	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5]CC)2(O){1|C<4>,1|H<1>}	C[5](C[5]C[5]C[6])(N[5]C[5]O)(CH3)2{1|S<2>,2|H<1>,3|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]O)(CH3)2{3|C<4>}	114.8820	0.000	1	114.8820	0.000	1	115.1393	0.177	15	115.4706	0.352	26	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HS)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|N<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]H)(H)2{2|C<3>,2|H<1>}	108.1800	0.000	1	108.1800	0.000	1	108.1800	0.000	1	108.1800	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|Si<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|Cl<1>,1|Si<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	111.8340	0.000	1	111.8340	0.000	1	108.7670	7.391	7	108.7670	7.391	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	112.4270	0.000	1	112.4270	0.000	1	108.7670	7.391	7	108.7670	7.391	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]F)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|F<1>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|F<1>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]F)(N[5]C[5]H)(COO)(H){1|N<2>,2|H<1>,3|C<3>}	108.2350	0.000	1	108.2350	0.000	1	108.7670	7.391	7	108.7670	7.391	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){2|H<1>,4|C<3>}	108.1010	1.076	3	108.1010	1.157	3	108.7670	7.391	7	108.7670	7.391	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H)	C[5](C[5]C[5]HP)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|P<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HP)(N[5]C[5]H)(H){1|P<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HP)(N[5]C[5]H)(COO)(H){1|C<3>,1|P<4>,2|H<1>}	104.5700	0.000	1	104.5700	0.000	1	108.7670	7.391	7	108.7670	7.391	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:P-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HP)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(PO3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HP)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|P<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(PO3)(H){2|C<3>,2|H<1>}	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	107.4350	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CH3)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(CH3)(COO){1|C<3>,1|H<1>,2|C<4>}	108.0370	2.382	2	108.0370	5.672	2	109.5602	5.940	6	109.5602	5.940	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CH3)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CH3)(COO){1|H<1>,5|C<3>}	113.8340	0.000	1	113.8340	0.000	1	109.5602	5.940	6	109.5602	5.940	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(CH3)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]H)(CH3)(COO){2|C<3>,2|H<1>}	108.5070	0.000	1	108.5070	0.000	1	109.5602	5.940	6	109.5602	5.940	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CC[6a]HH)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(CC[6a]HH)(COO){2|C<3>,2|H<1>}	109.4730	0.000	2	109.4730	0.000	2	109.5602	5.940	6	109.5602	5.940	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:4:	3:4:3:4:	C[5]-4:C[5]-4:O-1:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[6a]-3:C[5]-4:N[5]-3:C-4:	N[5](C[5]C[6a]C[5]C)2(O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3)	N[5](C[5]C[6a]C[5]C)2(O){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(CH3){1|C<4>,3|C<3>,4|H<1>}	115.1607	0.252	3	115.1607	0.064	3	115.1607	0.064	3	115.1607	0.064	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	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(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)2(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{4|H<1>}	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	108.6940	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(COO)	N[5](C[5]C[6a]C[5]C)(C[5]C[5,5]HH)(H){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(COO){4|C<3>,4|H<1>}	105.1290	0.000	1	105.1290	0.000	1	105.1290	0.000	1	105.1290	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	3:4:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:N[5]-4:N[5]-3:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(H)	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(N[5]C[5]H)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(H){1|Cd<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[6]N[5]H)(C[6]C[6]N[6])(N[5]C[5]H)(H){1|Cd<6>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]CdC)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	105.5180	0.000	1	105.5180	0.000	1	105.5180	0.000	1	109.0190	14.416	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	3:4:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	110.7695	3.232	2	110.7695	10.447	2	110.7695	10.447	2	109.0190	14.416	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	102.4570	0.000	1	102.4570	0.000	1	102.4570	0.000	1	104.0100	4.824	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	105.5630	0.000	1	105.5630	0.000	1	105.5630	0.000	1	104.0100	4.824	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CH)(H)	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]CH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]H)(COO)(H){2|H<1>,3|C<3>}	111.8480	0.093	2	111.8480	0.009	2	111.8480	0.009	2	108.2453	6.605	10	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|C<3>,1|O<2>,1|S<4>,4|H<1>}	108.0200	0.000	1	108.0200	0.000	1	108.0200	0.000	1	108.2453	6.605	10	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){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]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	106.6930	0.000	1	106.6930	0.000	1	106.6930	0.000	1	108.2453	6.605	10	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	109.7840	0.464	2	109.7840	0.215	2	109.0997	1.513	3	108.2453	6.605	10	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	107.7310	0.000	1	107.7310	0.000	1	109.0997	1.513	3	108.2453	6.605	10	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[5a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[5a]H)(C[5]C[5,6]CH)(H){1|S<2>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]S[6]H)(C[5a]C[5a]S[5a])(N[5]C[5]H)(H){1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	105.5390	0.000	1	105.5390	0.000	1	105.5390	0.000	1	108.2453	6.605	10	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){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]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,4|H<1>}	104.1000	0.000	1	104.1000	0.000	1	104.1000	0.000	1	108.2453	6.605	10	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	107.1060	0.000	1	107.1060	0.000	1	107.1060	0.000	1	108.2453	6.605	10	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	110.9540	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[5]O)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)2(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CN[5]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(CCHH)(H){1|C<3>,3|H<1>}	107.2990	0.000	1	107.2990	0.000	1	107.2990	0.000	1	107.2990	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	111.5860	0.246	2	111.5860	0.061	2	111.5860	0.061	2	111.5860	0.061	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:3:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5]3)(N[5]C[5]H)(CCHH)(COO)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5]3)(N[5]C[5]H)(CCHH)(COO){2|H<1>,2|O<1>,4|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,5|C<3>}	110.1987	0.612	3	110.1987	0.375	3	110.1987	0.375	3	110.1987	0.375	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:3:	4:4:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[4]-4:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO)	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H){1|C<4>,2|H<1>,5|C<3>}	105.9450	0.484	2	105.9450	0.234	2	105.9450	0.234	2	105.9450	0.234	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2	N[5](C[5]C[5]CC)2(O){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2{1|H<1>,3|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CCHH)2{1|H<1>,3|C<4>}	116.4670	0.000	1	116.4670	0.000	1	115.8912	0.377	6	115.8967	0.314	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5]CC)2(O){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	115.7875	0.703	4	115.7875	0.495	4	115.8912	0.377	6	115.8967	0.314	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)2(O)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	C[5](C[5]C[5]HN)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5]CC)2(O){1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|H<1>,1|N<3>,2|C<4>}	C[5](C[5]C[5]HN)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	115.7300	0.000	1	115.7300	0.000	1	115.8912	0.377	6	115.8967	0.314	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:4:4:	C[5]-4:C[5]-4:O-1:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:N[5]-3:C-4:P-4:	N[5](C[5]C[5]CC)(C[5]C[5]CP)(O)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	N[5](C[5]C[5]CC)(C[5]C[5]CP)(O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CHHO)(CH3){1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){2|C<4>,2|H<1>}	115.9300	0.000	1	115.9300	0.000	1	115.9300	0.000	1	115.8967	0.314	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H)	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,5|H<1>}	C[5](C[6]C[5a,6]N[6]H)(C[5]C[5]HH)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	107.9450	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:3:3:2:	4:3:4:4:	C[5]-4:C[5]-4:O-2:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OCo)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OCo){2|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Co<6>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2{2|C<3>}	113.1158	0.560	4	113.1158	0.314	4	112.7766	0.810	5	112.7766	0.810	5	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:3:3:2:	4:3:4:4:	C[5]-4:C[5]-4:O-2:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(ONi)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(ONi){2|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Ni<6>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2{2|C<3>}	111.4200	0.000	1	111.4200	0.000	1	112.7766	0.810	5	112.7766	0.810	5	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-2:	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)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	112.4850	0.000	1	112.4850	0.000	1	112.7310	0.121	2	113.5354	2.876	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-2:	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(CN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	112.9770	0.000	1	112.9770	0.000	1	112.7310	0.121	2	113.5354	2.876	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:N-2:	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(NN)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)2(NN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	113.1440	1.310	4	113.1440	1.717	4	113.8572	3.831	5	113.5354	2.876	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:N-2:	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(NOs)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)2(NOs){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	116.7100	0.000	1	116.7100	0.000	1	113.8572	3.831	5	113.5354	2.876	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:N-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	108.4457	3.527	3	108.4457	12.441	3	107.5886	7.614	5	107.5886	7.614	5	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:N-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[5])	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[5]){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	106.4810	0.000	1	106.4810	0.000	1	107.5886	7.614	5	107.5886	7.614	5	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:N-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6])	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6]){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	106.1250	0.000	1	106.1250	0.000	1	107.5886	7.614	5	107.5886	7.614	5	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|H<1>}	111.6070	0.000	1	111.6070	0.000	1	111.5440	0.112	3	111.5440	0.112	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){2|H<1>}	111.8420	0.000	1	111.8420	0.000	1	111.5440	0.112	3	111.5440	0.112	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(COO){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){2|H<1>}	111.1830	0.000	1	111.1830	0.000	1	111.5440	0.112	3	111.5440	0.112	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	3:3:4:4:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]O[5]HH)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)2	N[5](C[5]C[5]CC)(C[5]O[5]HH)(COO){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|O<1>,2|C<4>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)2{2|H<1>}	112.2630	0.000	1	112.2630	0.000	1	112.2630	0.000	1	112.2630	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:S[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]HH)(CCO)	C[5](N[5]C[5]C)(S[5]C[5])(H)2	C[5](C[5]S[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]HH)(CCO){2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(H)2{1|C<3>,3|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CNO)(H){2|H<1>}	114.7125	0.067	2	114.7125	0.005	2	114.7125	0.005	2	114.7125	0.005	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	110.9000	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:S[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO)	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]HO)(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO){2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(CC[5]HO)(H){1|C<3>,3|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	114.0290	0.000	1	114.0290	0.000	1	114.0290	0.000	1	114.0290	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|C<4>}	112.0060	0.216	2	112.0060	0.047	2	111.8731	0.066	12	111.8731	0.066	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){2|C<4>}	111.9361	0.208	8	111.9361	0.043	8	111.8731	0.066	12	111.8731	0.066	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	111.5570	0.000	1	111.5570	0.000	1	111.8731	0.066	12	111.8731	0.066	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){2|C<4>}	111.4190	0.000	1	111.4190	0.000	1	111.8731	0.066	12	111.8731	0.066	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	3:3:4:4:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]O[5]CC)(CC[6a]O)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3)	N[5](C[5]C[5]CC)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(CH3){2|C<4>}	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CCO)	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]O[5]CC)(CCO){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CCHH)(CH3){1|C<4>,3|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{2|C<4>}	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	110.1450	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:S[5]-2:C-4:C-4:	C[5]-4:N[5]-3:S-2:H-1:	N[5](C[5]C[5]HS)(C[5]S[5]CC)(CCO)	C[5](N[5]C[5]C)(S[5]C[5])(CH3)2	C[5](C[5]S[5]CC)(N[5]C[5]C)(SC)(H)	N[5](C[5]C[5]HS)(C[5]S[5]CC)(CCO){2|C<4>}	C[5](N[5]C[5]C)(S[5]C[5])(CH3)2{1|H<1>,1|S<2>,2|C<4>}	C[5](C[5]S[5]CC)(N[5]C[5]C)(SC)(H){2|C<4>}	115.8340	0.000	1	115.8340	0.000	1	115.8340	0.000	1	115.8340	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCH)(H){2|C<4>}	112.4520	1.455	2	112.4520	2.118	2	111.6385	2.515	4	111.6385	2.515	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCO)(H){2|C<4>}	112.0040	0.000	1	112.0040	0.000	1	111.6385	2.515	4	111.6385	2.515	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHN)(H){2|C<4>}	109.6460	0.000	1	109.6460	0.000	1	111.6385	2.515	4	111.6385	2.515	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H){2|C<4>}	110.8390	0.000	1	110.8390	0.000	1	111.4113	0.336	9	111.4113	0.336	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(CCHH)(H){2|C<4>}	112.0440	0.000	1	112.0440	0.000	1	111.4113	0.336	9	111.4113	0.336	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(CH3)(H){2|C<4>}	111.2230	0.000	1	111.2230	0.000	1	111.4113	0.336	9	111.4113	0.336	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<4>}	110.7520	0.000	1	110.7520	0.000	1	111.4113	0.336	9	111.4113	0.336	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHO)(H){2|C<4>}	111.4020	0.520	4	111.4020	0.271	4	111.4113	0.336	9	111.4113	0.336	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHNP)(H){2|C<4>}	112.2360	0.000	1	112.2360	0.000	1	111.4113	0.336	9	111.4113	0.336	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:4:4:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COO)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COO){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{2|C<4>}	111.6780	0.000	1	111.6780	0.000	1	111.0525	0.783	2	111.0525	0.783	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:4:	4:3:4:4:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COS)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	N[5](C[5]C[5]CC)(C[5]O[5]CC)(COS){2|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{2|C<4>}	110.4270	0.000	1	110.4270	0.000	1	111.0525	0.783	2	111.0525	0.783	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5a]HH)2(CC[6a]O)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(CC[6a]O){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|N<2>,2|H<1>,2|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	114.5370	0.000	1	114.5370	0.000	1	114.6357	0.023	3	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5a]HH)2(COO)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5a]HH)2(COO){1|C<3>,1|N<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C)(H)2{1|N<2>,2|H<1>,2|N<3>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(H)2{1|N<2>,2|C<3>,2|H<1>}	114.6850	0.177	2	114.6850	0.031	2	114.6357	0.023	3	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(CCH)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CCH){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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	111.4770	0.000	1	111.4770	0.000	1	111.6447	0.678	3	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(CC[6a]O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CC[6a]O){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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	112.5390	0.000	1	112.5390	0.000	1	111.6447	0.678	3	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(CRhC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	N[5](C[5]C[5,6a]HH)2(CRhC){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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	110.9180	0.000	1	110.9180	0.000	1	111.6447	0.678	3	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CCO)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCO){2|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>}	111.6150	0.000	1	111.6150	0.000	1	111.9217	0.142	3	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CCO)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCO){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{3|H<1>}	112.3430	0.000	1	112.3430	0.000	1	111.9217	0.142	3	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CC[6a]O)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]O){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{3|H<1>}	111.8070	0.000	1	111.8070	0.000	1	111.9217	0.142	3	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(C[5]C[5]2)	C[5](C[5]C[5]H)(N[5]C[5]2)(H)2	C[5](C[5]C[5]H)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|Cl<1>,1|C<3>,2|O<2>,3|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,3|H<1>}	111.6690	0.000	1	111.6690	0.000	1	111.6690	0.000	1	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5a]HH)2(C[6a]C[6a]2){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(H)2{1|N<3>,2|H<1>,3|C<3>}	115.0630	0.000	1	115.0630	0.000	1	115.0630	0.000	1	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){2|C<3>,2|H<1>,2|N<2>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]N[6a])(N[5]C[6a]C[5])(H)2{1|N<2>,2|H<1>,3|C<3>}	113.6590	0.000	1	113.6590	0.000	1	113.6590	0.000	1	112.9164	2.281	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:2:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-2:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H)	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{1|C<2>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CC)(H){3|H<1>,4|C<3>}	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	113.2920	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H)	N[5](C[5]C[5,5a]CH)(C[5]C[5,5a]HH)(C[6a]C[6a]2){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[6a]C[5])(CCCH)(H){1|O<2>,2|H<1>,3|C<3>}	114.7320	0.000	1	114.7320	0.000	1	114.7320	0.000	1	114.7320	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](C[5]C[5]H)(N[5]C[5]C)(CHHO)2{3|H<1>}	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.5660	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(COO){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCCH)(H){2|C<3>,2|H<1>}	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	3:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:O-2:H-1:	N[5](C[5]C[5,6a]HO)2(CNS)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5,6a]HO)2(CNS){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	113.9560	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	3:3:3:2:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:N[5]-2:H-1:	C[5]-3:N[5]-3:C-3:O-2:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(CC[6a]O)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H)	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)(OH)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CO)(CC[6a]O){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5])(H){1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]N[5])(N[5]C[5]C)(COO)(OH){1|H<1>,3|C<3>}	110.7860	0.000	1	110.7860	0.000	1	110.7860	0.000	1	110.7860	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO){1|O<1>,2|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|C<3>,3|H<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CH3)(H){1|C<3>,1|H<1>}	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	111.6120	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]O[5]H)(C[5]C[5]HH)(CCO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>}	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	110.0670	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){1|Br<1>,3|C<3>,4|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	117.2110	0.000	1	117.1904	0.627	9	117.1904	0.627	9	117.1904	0.627	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){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>,3|C<3>,4|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	117.2020	0.000	1	117.1904	0.627	9	117.1904	0.627	9	117.1904	0.627	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){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<2>,3|C<3>,4|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	116.8110	0.727	2	117.1904	0.627	9	117.1904	0.627	9	117.1904	0.627	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){2|Cl<1>,3|C<3>,3|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	115.8430	0.000	1	117.1904	0.627	9	117.1904	0.627	9	117.1904	0.627	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	117.7090	0.660	4	117.1904	0.627	9	117.1904	0.627	9	117.1904	0.627	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(COO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){1|C<3>,1|H<1>}	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	112.2730	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:4:4:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CCO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)2	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(CCO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CHHO)2{1|C<3>,1|H<1>}	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	110.5770	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:4:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CCO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]O[5]C)(C[5]C[5]HH)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	111.1920	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	112.9770	0.000	1	113.2245	0.123	2	113.2245	0.123	2	112.9262	0.163	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	113.4720	0.000	1	113.2245	0.123	2	113.2245	0.123	2	112.9262	0.163	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C-3:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]CH)(C[5]C[5,6a]HH)(C[6a]C[6a]2){2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(CCH)(H){3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,5|C<3>}	112.6280	0.099	2	112.6280	0.010	2	112.6280	0.010	2	112.9262	0.163	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5]-3:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,2|H<1>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	113.1170	0.000	1	113.1170	0.000	1	113.1170	0.000	1	113.3204	0.335	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|Br<1>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,6|C<3>}	113.4550	0.000	1	113.2167	0.055	3	113.0180	0.194	4	113.3204	0.335	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|H<1>,1|O<2>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	113.0975	0.155	2	113.2167	0.055	3	113.0180	0.194	4	113.3204	0.335	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]H)(H){1|O<2>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){4|H<1>,5|C<3>}	112.4220	0.000	1	112.4220	0.000	1	113.0180	0.194	4	113.3204	0.335	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<1>,1|S<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|S<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<1>,3|H<1>,5|C<3>}	114.0270	0.156	2	114.0270	0.024	2	114.0270	0.024	2	113.3204	0.335	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CClO)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]C)(H)	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(CClO){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){2|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]C)2(CC3)(H){1|C<3>,1|H<1>,1|O<1>}	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	112.6750	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]C)(N[5]C[5]C)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	114.0150	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:3:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){1|Cl<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>}	111.5780	0.000	1	111.7750	0.078	2	111.7750	0.078	2	111.7750	0.078	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:3:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-3:N[5]-3:C-3:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO)	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|H<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]C)(CNO){2|C<3>,5|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|C<3>}	111.9720	0.000	1	111.7750	0.078	2	111.7750	0.078	2	111.7750	0.078	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:3:	3:3:3:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5a]-3:N[5]-3:C[6a]-3:N[5]-3:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H)	N[5](C[5]C[5a]C[6a]N[5])(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|O<2>,2|H<1>,9|C<3>}	C[5](C[5a]C[5a]O[5a])(N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C){4|H<1>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]N[5]C)(H){2|H<1>,7|C<3>}	111.9160	0.000	1	111.9160	0.000	1	111.9160	0.000	1	111.9160	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:4:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(CCH)	C[5](C[6a]C[6a]2)(N[5]C[5]C)2(CH3)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]CH)(CCH){1|C<4>,1|O<1>,2|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[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,2|C<4>}	111.8320	0.311	2	111.8320	0.097	2	111.8320	0.097	2	111.8320	0.097	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:2:1:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:O[5]-2:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]O[5]CH)(H){3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){4|H<1>,6|C<3>}	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	111.5080	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6a]CH)2(COO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H)	N[5](C[5]C[5,6a]CH)2(COO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(H){1|C<4>,2|C<3>,2|H<1>}	111.4940	0.000	1	111.4940	0.000	1	111.4940	0.000	1	112.1113	0.695	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO)	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H)	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CCCH)(H){1|H<1>,2|C<4>}	C[5](N[5]C[5]C)2(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	111.4655	0.148	2	111.4655	0.022	2	111.6382	0.189	6	112.1113	0.695	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[5](N[5]C[5]C)2(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	112.1510	0.037	2	112.1510	0.001	2	111.6382	0.189	6	112.1113	0.695	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO)	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H)	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(CClO){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CH3)(H){1|H<1>,2|C<4>}	C[5](N[5]C[5]C)2(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	111.2980	0.324	2	111.2980	0.105	2	111.6382	0.189	6	112.1113	0.695	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	112.3170	0.427	2	112.2703	0.098	3	112.8026	0.647	5	112.1113	0.695	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,3|H<1>,8|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,3|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){4|H<1>,6|C<3>}	112.1770	0.000	1	112.2703	0.098	3	112.8026	0.647	5	112.1113	0.695	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){6|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	113.6010	0.519	2	113.6010	0.269	2	112.8026	0.647	5	112.1113	0.695	12	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:2:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:O-2:	N[5](C[5]C[5]CH)(C[5]N[5]CO)(COO)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](N[5]C[5]C)2(CC[6a]HH)(OH)	N[5](C[5]C[5]CH)(C[5]N[5]CO)(COO){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|O<2>,2|C<4>}	C[5](N[5]C[5]C)2(CC[6a]HH)(OH){1|C<4>,1|H<1>,1|O<1>}	113.8970	0.122	2	113.8970	0.015	2	113.8970	0.015	2	113.8970	0.015	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]N[5]CC)(CCH)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](N[5]C[5]C)2(CH3)2	N[5](C[5]C[5]CH)(C[5]N[5]CC)(CCH){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){3|C<4>}	C[5](N[5]C[5]C)2(CH3)2{1|C<4>,1|H<1>,1|O<1>}	112.7290	0.000	1	112.7290	0.000	1	112.7290	0.000	1	112.7290	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:4:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]O[5]CC)(CC[6a]O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CC)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[5a]HO)(CH3){2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>}	112.0550	0.000	1	112.0550	0.000	1	111.8863	0.097	6	111.8863	0.097	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:4:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]CC)(C[5]O[5]CC)(CC[6a]O)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CC)(C[5]O[5]CC)(CC[6a]O){1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|O<1>,2|C<4>}	111.8526	0.336	5	111.8526	0.113	5	111.8863	0.097	6	111.8863	0.097	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[4]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[4]C[4]2)	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[4]C[4]2){1|Br<1>,1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	110.2560	0.000	1	110.2560	0.000	1	110.2560	0.000	1	110.7711	3.471	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|B<4>,2|C<4>,7|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,4|H<1>}	109.4730	0.000	1	110.7343	3.865	15	110.8033	3.683	16	110.7711	3.471	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|C<3>,1|C<4>,7|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,4|H<1>}	111.0800	0.000	1	110.7343	3.865	15	110.8033	3.683	16	110.7711	3.471	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|Cl<1>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	109.6980	0.532	2	110.7343	3.865	15	110.8033	3.683	16	110.7711	3.471	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2){1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	109.3860	0.000	1	110.7343	3.865	15	110.8033	3.683	16	110.7711	3.471	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2){2|C<3>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	111.3633	2.314	9	110.7343	3.865	15	110.8033	3.683	16	110.7711	3.471	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2){3|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	109.4100	0.000	1	110.7343	3.865	15	110.8033	3.683	16	110.7711	3.471	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]N[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]N[6]2){3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<2>,1|N<3>,4|H<1>}	111.8370	0.000	1	111.8370	0.000	1	110.8033	3.683	16	110.7711	3.471	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO)	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(COO){2|H<1>}	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	110.7315	0.705	2	110.7315	0.497	2	110.7315	0.497	2	110.7315	0.497	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:2:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(CCO)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]O[5]CH)(CCO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){1|C<3>,3|H<1>}	111.1270	0.000	1	111.1270	0.000	1	111.1270	0.000	1	111.1270	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	113.6480	0.000	2	113.6480	0.000	2	113.6480	0.000	2	113.6480	0.000	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:2:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(COO)	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]H)(COO){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]CH)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(H){4|C<3>,4|H<1>}	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	111.9050	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:2:4:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:N[5]-3:O[5]-2:C-4:	N[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5]H)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3)	N[5](C[5]C[5a]O[5]C)(C[5]C[6a]C[5]H)(CC[6a]O){1|N<3>,2|H<1>,3|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[5](C[5a]C[5a]N[5a])(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	111.3030	0.000	1	111.3030	0.000	1	111.3030	0.000	1	111.2870	0.257	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:2:4:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:C-4:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[5a]O)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CC[5a]O){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[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){1|N<3>,3|C<3>,4|H<1>}	111.2790	0.717	2	111.2790	0.514	2	111.2790	0.514	2	111.2870	0.257	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:4:2:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:C-4:O[5]-2:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CCO)	C[5](C[6a]C[6a]2)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5])	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]O[5]C)(CCO){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[5](C[6a]C[6a]2)(N[5]C[5]C)(CC[6a]HH)(O[5]C[5]){3|C<3>,5|H<1>}	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	108.0260	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-3:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H){2|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	111.9680	0.000	1	111.9680	0.000	1	111.9680	0.000	1	111.9680	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CCO){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[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	112.3660	0.000	1	112.3660	0.000	1	111.7715	1.665	4	112.4403	2.122	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(CCS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CCS){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[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	110.9935	1.583	2	110.9935	2.507	2	111.7715	1.665	4	112.4403	2.122	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(CC[6,6]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)2(CC[6,6]O){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[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	112.7330	0.000	1	112.7330	0.000	1	111.7715	1.665	4	112.4403	2.122	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C[5]-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(C[5]C[5]N[5])	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]H)2(C[5]C[5]N[5]){2|C<4>,4|C<3>,6|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	113.4280	0.000	1	113.4280	0.000	1	113.4280	0.000	1	112.4403	2.122	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:N-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(NPdC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	N[5](C[5]C[6a]C[5]H)2(NPdC){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	114.1280	0.000	1	114.1280	0.000	1	114.1280	0.000	1	112.4403	2.122	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO)	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO){1|N<2>,1|N<3>,4|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|N<2>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.9600	0.204	2	111.9600	0.041	2	112.3426	0.314	5	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO)	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5]HH)(CCO){1|N<2>,1|S<2>,4|H<1>}	C[5](C[5a]N[5a]S[5a])(C[5]C[5]HH)(N[5]C[5]C)(H){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>}	112.5977	0.603	3	112.5977	0.363	3	112.3426	0.314	5	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO){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|C<4>,1|O<2>,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>}	111.7240	0.000	1	111.5330	1.208	4	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO){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|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	109.9750	0.000	1	111.5330	1.208	4	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CCO){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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.2165	0.476	2	111.5330	1.208	4	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){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){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	110.9190	0.000	1	110.9190	0.000	1	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){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|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.6450	0.000	1	111.9870	0.234	2	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){2|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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.3290	0.000	1	111.9870	0.234	2	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	113.6240	0.000	1	113.6240	0.000	1	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<1>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<1>}	114.4950	0.000	1	114.1585	0.226	2	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){1|O<2>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	113.8220	0.000	1	114.1585	0.226	2	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.7850	0.000	1	112.7850	0.000	1	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){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){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	112.3240	0.000	1	112.3240	0.000	1	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(COO){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|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	112.6840	0.000	1	112.6840	0.000	1	112.3661	1.461	13	112.3596	1.105	18	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,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|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	111.5270	0.000	1	112.1555	0.790	2	113.0479	0.940	7	113.0479	0.940	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|H<1>,3|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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	112.7840	0.000	1	112.1555	0.790	2	113.0479	0.940	7	113.0479	0.940	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[5]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[5]O){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|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	113.5500	0.000	1	113.5500	0.000	1	113.0479	0.940	7	113.0479	0.940	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,2|H<1>,3|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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>,2|C<3>}	114.1680	0.000	1	114.1680	0.000	1	113.0479	0.940	7	113.0479	0.940	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,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|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	113.8120	0.000	1	113.8120	0.000	1	113.0479	0.940	7	113.0479	0.940	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){3|C<3>,3|H<1>}	113.4480	0.000	1	113.4480	0.000	1	113.0479	0.940	7	113.0479	0.940	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CHO){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<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	112.0460	0.000	1	112.0460	0.000	1	113.0479	0.940	7	113.0479	0.940	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	113.2675	0.052	2	113.2675	0.003	2	113.3310	0.185	7	113.3310	0.185	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,1|C<4>,2|H<1>}	113.5367	0.456	3	113.5367	0.208	3	113.3310	0.185	7	113.3310	0.185	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CCHS)(H){1|C<3>,1|O<2>,2|H<1>}	112.6190	0.000	1	112.6190	0.000	1	113.3310	0.185	7	113.3310	0.185	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	113.5530	0.000	1	113.5530	0.000	1	113.3310	0.185	7	113.3310	0.185	7	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:2:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:C-2:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN)	C[5](C[5]C[5]ClH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O){1|Cl<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CN){1|Cl<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]ClH)(N[5]C[5]C)(H)2{1|C<2>,1|C<3>,2|H<1>}	112.3630	0.000	1	112.3630	0.000	1	112.3630	0.000	1	112.3630	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:3:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[5a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[5a]O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	111.1170	0.000	1	111.1170	0.000	1	111.6148	0.352	4	111.6148	0.352	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:3:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CC[6a]O){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CNO){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	111.7807	0.602	3	111.7807	0.363	3	111.6148	0.352	4	111.6148	0.352	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CCO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){2|C<3>,6|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>}	112.7300	0.000	1	112.7300	0.000	1	112.6712	0.186	6	112.6712	0.186	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CCHH)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNO){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)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.3885	0.021	2	112.3885	0.000	2	112.6712	0.186	6	112.6712	0.186	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNS)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	C[5](C[5]C[5a]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(CNS){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)(CH3){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5a]C[5]C)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	112.2040	0.000	1	112.2040	0.000	1	112.6712	0.186	6	112.6712	0.186	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(COO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(CH3){2|C<3>,6|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>}	113.1580	0.276	2	113.1580	0.076	2	112.6712	0.186	6	112.6712	0.186	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CNS)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNS){3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{4|H<1>}	112.3700	0.000	1	112.3700	0.000	1	111.3697	0.756	3	111.1748	0.656	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(CSS)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CSS){3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{3|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]C)(H)2{4|H<1>}	110.8695	0.101	2	110.8695	0.010	2	111.3697	0.756	3	111.1748	0.656	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:H-1:H-1:	N[3,5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	111.1748	0.656	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[5]C)2(COO)(H)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[5]C)2(COO)(H){4|H<1>}	112.3230	1.130	2	112.3230	1.277	2	111.5493	2.626	4	111.5493	2.626	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCS)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[5]C)2(COO)(H)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCS){1|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<3>}	C[5](N[5]C[5]C)2(COO)(H){4|H<1>}	110.7755	2.051	2	110.7755	4.208	2	111.5493	2.626	4	111.5493	2.626	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){1|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|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){4|H<1>}	110.8860	1.567	2	110.8860	2.455	2	111.2863	1.708	3	110.7993	2.088	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5a]O){1|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|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(CCHH)(H){4|H<1>}	112.0870	0.000	1	112.0870	0.000	1	111.2863	1.708	3	110.7993	2.088	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4: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]CH)(CCO)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[5]C)2(CCCS)(H)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(CCO){1|C<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	C[5](N[5]C[5]C)2(CCCS)(H){4|H<1>}	109.3380	0.000	1	109.3380	0.000	1	109.3380	0.000	1	110.7993	2.088	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:4:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:O[5]-2:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]CH)(COO)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]O[5]CH)(COO){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5]C)(CC[6a]HH)(O[5]C[5])(H){1|C<3>,3|H<1>}	108.7800	0.000	1	108.7800	0.000	1	108.7800	0.000	1	111.3765	13.484	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:4:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:S[5]-2:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]CH)(COO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[5]C)(CC[6a]HO)(S[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]S[5]CH)(COO){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(CC[6a]HO)(S[5]C[5])(H){4|H<1>}	113.9730	0.000	1	113.9730	0.000	1	113.9730	0.000	1	111.3765	13.484	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[3,3x5]-4:N[5]-3:H-1:H-1:	C[4x5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,3x5]HH)(C[5]C[4x5,6]HH)(CCO)	C[5](C[3,3x5]C[3,5,5]2C[4x5,6])(N[5]C[5]C)(H)2	C[5](C[4x5,6]C[3,3x5]C[3x5,6]2)(N[5]C[5]C)(H)2	N[5](C[5]C[3,3x5]HH)(C[5]C[4x5,6]HH)(CCO){4|C<4>}	C[5](C[3,3x5]C[3,5,5]2C[4x5,6])(N[5]C[5]C)(H)2{4|C<4>,4|H<1>}	C[5](C[4x5,6]C[3,3x5]C[3x5,6]2)(N[5]C[5]C)(H)2{4|H<1>,6|C<4>}	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO)	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(N[5]C[5]C)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]C)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(COO){1|Cl<1>,1|O<2>,2|C<4>}	C[5](C[3x5,6]C[3,5,6]C[5,5,6]O[5,5])(N[5]C[5]C)(H)2{1|Cl<1>,1|O<2>,3|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]C)(H)2{1|O<2>,2|C<4>,4|H<1>}	112.5900	0.000	1	112.5900	0.000	1	112.5900	0.000	1	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[3x5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(COO)	C[5](C[3x5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)2	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3x5]HH)(C[5]C[5,5]HH)(COO){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[5](C[3x5]C[5,5]N[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	111.3610	0.000	1	111.3610	0.000	1	111.3610	0.000	1	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO)	C[5](C[4,5,5]C[4,5]2C[5])(N[5]C[5]C)(H)2	C[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(COO){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[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	113.0860	0.000	1	113.0860	0.000	1	113.0860	0.000	1	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO)	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(COO){1|H<1>,1|N<3>,2|C<4>}	C[5](C[5,5,6]C[5,5]N[5,6]C[6])(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(H)2{1|N<3>,2|C<4>,4|H<1>}	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(CCO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)2(CCO){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2{1|C<3>,1|N<2>,3|H<1>}	112.2440	0.000	1	112.2440	0.000	1	112.2440	0.000	1	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(H)2	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(COO){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[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(CCO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)2(CCO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{2|C<4>,5|H<1>}	110.9060	0.000	1	110.9060	0.000	1	112.1305	2.999	2	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(COO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HH)2(COO){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>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{3|C<4>,4|H<1>}	113.3550	0.000	1	113.3550	0.000	1	112.1305	2.999	2	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CCC)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	110.6100	0.709	4	110.6100	0.502	4	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.8542	1.328	5	111.8542	1.765	5	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CCN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	112.0150	0.000	1	112.0150	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CCN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCN){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{4|H<1>}	111.1520	0.000	1	111.1520	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.8732	1.346	17	111.8732	1.811	17	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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[3]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[3]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.3427	0.278	3	111.3427	0.077	3	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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[4,6]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[4,6]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	110.8150	0.000	1	110.8150	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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[4]Cr)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[4]Cr){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	108.7530	0.000	1	108.7530	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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[5,6]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[5,6]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.8640	0.000	1	111.8640	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[5]C){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	110.6540	0.000	1	110.6540	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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[5a]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[5a]C){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.4600	0.000	1	111.4600	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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[5a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[5a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.8315	0.321	11	111.8315	0.103	11	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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[6]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.6784	0.672	5	111.6784	0.452	5	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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[6a]C)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]C){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.0925	0.074	2	111.0925	0.006	2	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.6576	0.581	9	111.6576	0.338	9	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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[6a]S)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CC[6a]S){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	110.8900	0.540	8	110.8900	0.291	8	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CNN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.2388	0.231	5	111.2388	0.053	5	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	112.4548	0.470	5	112.4548	0.221	5	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CNS)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNS){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.5314	0.617	25	111.5314	0.381	25	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CN[5]2)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]2){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	110.5740	0.276	2	110.5740	0.076	2	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CN[5]Ir)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]Ir){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	109.9920	0.387	4	109.9920	0.150	4	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CN[5]N)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]N){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.0893	0.743	3	111.0893	0.553	3	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CN[5]Rh)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]Rh){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	110.3125	0.045	2	110.3125	0.002	2	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(COO)	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]2H)(N[5]C[5]C)(H)2{1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	112.3475	0.197	2	112.3475	0.039	2	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(COO)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{2|C<4>,2|H<1>}	112.4870	0.000	1	112.4870	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	112.9350	0.000	1	112.9350	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO){1|N<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<4>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{4|H<1>}	113.2270	0.000	1	113.2270	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HP)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO){1|P<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|P<4>,3|H<1>}	C[5](C[5]C[5]HP)(N[5]C[5]C)(H)2{4|H<1>}	113.5500	0.000	1	113.5500	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(COO){1|S<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|S<4>,3|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{4|H<1>}	112.7950	0.000	1	112.7950	0.000	1	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CPdN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CPdN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	110.5514	1.158	5	110.5514	1.340	5	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CSS)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CSS){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.5586	0.532	21	111.5586	0.283	21	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CSeC)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CSeC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	110.2437	0.876	3	110.2437	0.768	3	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CSeN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CSeN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.5013	0.057	3	111.5013	0.003	3	111.4694	0.850	156	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	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(C[5]C[5]2)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,4|H<1>}	110.4170	0.000	1	110.5620	0.042	2	111.2990	0.806	4	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	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(C[5]C[5]2)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(C[5]C[5]2){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|C<3>,1|C<4>,4|H<1>}	110.7070	0.000	1	110.5620	0.042	2	111.2990	0.806	4	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-3:	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(C[5]N[5]2)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5]HH)2(C[5]N[5]2){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{1|N<2>,1|N<3>,4|H<1>}	112.0360	0.451	2	112.0360	0.204	2	111.2990	0.806	4	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2)	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5]HH)2(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]C[6a]C[5])(H)2{1|S<4>,2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	113.2810	0.000	1	113.2810	0.000	1	113.2810	0.000	1	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6,6]HH)2(C[6a]C[6a]2)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6,6]HH)2(C[6a]C[6a]2){2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,4|C<3>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,4|C<3>,4|H<1>}	113.5490	0.000	1	113.5490	0.000	1	113.5490	0.000	1	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)2(C[6a]C[6a]2){1|C<4>,1|F<1>,1|N<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|C<4>,1|N<4>,2|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[6a]C[5])(H)2{2|C<3>,2|C<4>,5|H<1>}	110.7060	0.629	7	110.7060	0.396	7	110.7060	0.396	7	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:N-3:	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(NRuH)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]HH)2(NRuH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{4|H<1>}	110.6870	0.000	1	110.6870	0.000	1	110.6870	0.000	1	111.5059	0.926	179	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-2:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){4|H<1>}	111.6300	0.000	1	111.6300	0.000	1	112.0870	0.418	2	112.3222	1.355	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-2:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(CN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){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<2>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	112.5440	0.000	1	112.5440	0.000	1	112.0870	0.418	2	112.3222	1.355	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:N-2:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CNO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){4|H<1>}	110.8380	0.000	1	110.8380	0.000	1	110.8380	0.000	1	112.3222	1.355	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-2:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	110.5400	0.000	1	110.5400	0.000	1	112.6480	1.495	6	112.3222	1.355	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-2:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HO)(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(OC)(H){4|H<1>}	112.7488	0.166	4	112.7488	0.028	4	112.6480	1.495	6	112.3222	1.355	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-2:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]HO)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]Br2)(N[5]C[5]C)(OH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HO)(COO){2|Br<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|Br<1>,1|H<1>,1|O<2>}	C[5](C[5]C[5]Br2)(N[5]C[5]C)(OH)(H){4|H<1>}	114.3530	0.000	1	114.3530	0.000	1	112.6480	1.495	6	112.3222	1.355	9	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(CCO){1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(COO)(H){3|H<1>}	113.5650	0.000	1	113.5650	0.000	1	112.7380	1.368	2	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(COO){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[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(COO)(H){5|H<1>}	111.9110	0.000	1	111.9110	0.000	1	112.7380	1.368	2	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(CC[6a]O)	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(H)2	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5]C[6]N[6])(N[5]C[5]C)(H)2{1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,1|N<3>,2|H<1>}	112.5680	0.000	1	112.5680	0.000	1	112.5680	0.000	1	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:B-3:H-1:	N[5](C[5]C[5]BH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(BOO)(H)	N[5](C[5]C[5]BH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|B<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(BOO)(H){4|H<1>}	112.8120	0.000	1	112.8120	0.000	1	112.8120	0.000	1	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){4|H<1>}	111.7460	0.029	3	111.7460	0.001	3	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|F<1>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|F<1>,3|H<1>}	112.4250	0.000	1	112.4250	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	112.0668	0.991	100	112.0668	0.981	100	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	112.1020	0.694	21	112.1020	0.482	21	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){4|H<1>}	112.5100	0.000	1	112.5100	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<4>,1|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	111.7180	0.000	1	111.7180	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	112.3800	0.397	2	112.3800	0.158	2	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	110.5755	0.271	2	110.5755	0.073	2	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[4,6]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[4,6]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	112.0475	0.076	2	112.0475	0.006	2	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	112.2209	0.404	12	112.2209	0.163	12	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	111.8337	0.620	4	111.8337	0.385	4	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	112.3825	0.732	2	112.3825	0.536	2	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	112.4190	0.000	1	112.4190	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	110.6080	0.000	1	110.6080	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	111.9345	0.593	36	111.9345	0.352	36	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	111.8263	0.547	7	111.8263	0.299	7	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]S)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]S){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H){4|H<1>}	111.6740	0.000	1	111.6740	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	112.7540	0.000	1	112.7540	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	113.8590	0.000	1	113.8590	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|F<1>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|F<1>,3|H<1>}	112.9787	0.403	3	112.9787	0.162	3	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){4|H<1>}	112.9890	0.000	1	112.9890	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCO)(H){4|H<1>}	113.6540	0.000	1	113.6540	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	112.9942	0.404	21	112.9942	0.164	21	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNS)(H){4|H<1>}	113.0793	1.080	3	113.0793	1.165	3	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	113.5940	0.000	1	113.5940	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|F<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|F<1>,2|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	113.1020	0.442	3	113.1020	0.195	3	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	112.8890	0.000	1	112.8890	0.000	1	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CPdN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CPdN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	111.6313	0.959	3	111.6313	0.920	3	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeC)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	111.4795	0.431	2	111.4795	0.185	2	112.1704	0.752	238	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:N-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H){4|H<1>}	112.6520	0.000	1	112.6520	0.000	1	112.3460	0.187	2	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:N-3:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HN)(CC[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NCH)(H){4|H<1>}	112.0400	0.000	1	112.0400	0.000	1	112.3460	0.187	2	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:N-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NOO)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CNO)(H){4|H<1>}	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	112.1961	0.799	245	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:3:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CHO)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CHO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(COO)2{1|C<4>,3|H<1>}	113.5550	0.000	1	113.5550	0.000	1	113.5550	0.000	1	113.5550	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:N[5]-3:P-4:H-1:	N[5](C[5]C[3x5,6]HP)(C[5]C[5,5,6]HH)(CCO)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(PO3)(H)	N[5](C[5]C[3x5,6]HP)(C[5]C[5,5,6]HH)(CCO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|O<2>,1|P<4>,3|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]C)(PO3)(H){1|C<3>,2|C<4>,4|H<1>}	111.2570	0.665	2	111.2570	0.442	2	111.2570	0.442	2	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CF3)(H){4|H<1>}	111.4220	0.371	2	111.4220	0.137	2	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){2|C<4>,2|H<1>}	111.6140	0.000	1	111.6140	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	111.7030	0.000	1	111.7030	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H){4|H<1>}	111.7170	0.000	1	111.7170	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	111.8110	0.279	2	111.8110	0.078	2	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHS)(H){4|H<1>}	111.5155	0.349	2	111.5155	0.122	2	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCCH)(H){4|H<1>}	111.5960	0.000	1	111.5960	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	111.3330	0.602	6	111.3330	0.362	6	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	111.2250	0.532	2	111.2250	0.283	2	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCS)(H){4|H<1>}	109.6290	0.000	1	109.6290	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	111.1367	2.391	3	111.1367	5.717	3	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<3>,2|H<1>}	111.3190	0.000	1	111.3190	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHN)(H){4|H<1>}	111.7570	0.383	2	111.7570	0.147	2	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){4|H<1>}	109.9440	0.720	2	109.9440	0.518	2	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	109.6515	0.306	2	109.6515	0.094	2	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CBHH)(H){4|H<1>}	113.3420	0.000	1	113.3420	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	113.0650	0.000	1	113.0650	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHO)(H){4|H<1>}	112.9040	0.000	1	112.9040	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	112.7460	0.257	2	112.7460	0.066	2	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHP)(H){4|H<1>}	113.2030	0.000	1	113.2030	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|O<2>,3|H<1>}	113.0560	0.000	1	113.0560	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSS)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSS){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	111.9360	0.000	1	111.9360	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CSeN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	112.4210	0.000	1	112.4210	0.000	1	111.5541	1.303	38	111.5393	1.252	40	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO){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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(COO){4|H<1>}	112.9870	0.000	1	112.9870	0.000	1	113.1597	0.141	3	113.1597	0.141	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO){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<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<4>,3|H<1>}	113.2460	0.488	2	113.2460	0.238	2	113.1597	0.141	3	113.1597	0.141	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	3:3:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(CCO)	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2	N[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(CCO){1|Fe<10>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)2{1|C<4>,1|H<1>}	110.0040	0.000	1	110.0040	0.000	1	110.1605	0.049	2	110.1605	0.049	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	3:3:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:O[5]-2:H-1:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(CCO)	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3)	N[5](C[5]C[5]O[5]H)(C[5]C[5]CC)(CCO){1|Fe<10>,1|O<1>,2|C<4>}	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(O[5]C[5])(H){1|O<1>,2|H<1>,4|C<4>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HO)(CH3){1|C<4>,1|H<1>}	110.3170	0.000	1	110.3170	0.000	1	110.1605	0.049	2	110.1605	0.049	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:N[5]-3:O-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HO)(C[5]C[5]HH)(COO)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]HO)(C[5]C[5]HH)(COO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C)(OH)(H){1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]C)(H)2{1|H<1>,1|O<2>,2|C<4>}	114.1090	0.000	1	114.1090	0.000	1	114.1090	0.000	1	114.1090	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:N-2:H-1:	C[5]-4:N[5]-3:N-2:H-1:	N[5](C[5]C[5]HN)2(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N[5](C[5]C[5]HN)2(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|N<2>,3|H<1>}	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	112.2930	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6]-4:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6]S[5]H)(C[5]C[5]CH)(CC[6]O)	C[5](C[6]C[6,6]O[6]H)(N[5]C[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6]S[5]H)(C[5]C[5]CH)(CC[6]O){1|C<4>,1|O<2>,3|H<1>}	C[5](C[6]C[6,6]O[6]H)(N[5]C[5]C)(S[5]C[5])(H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	116.4870	0.000	1	116.4870	0.000	1	116.4870	0.000	1	116.4870	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:2:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:O[5]-2:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CCO)	C[5](C[5]O[5]HH)(N[5]C[5]C)(COO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CCO){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CF3)(H){1|C<3>,3|H<1>}	109.1130	0.000	1	109.1130	0.000	1	109.1130	0.000	1	115.3423	10.462	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:2:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]S[5]CH)(CCO){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(CCHO)(H){1|C<3>,3|H<1>}	116.5882	1.199	5	116.5882	1.436	5	116.5882	1.436	5	115.3423	10.462	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){1|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	113.2420	2.000	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:S[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	C[5](N[5]C[5]C)(S[5]C[5]O)(H)2	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO){1|O<1>,2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|O<1>,2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5]O)(H)2{1|C<3>,3|H<1>}	114.2420	0.000	1	114.2420	0.000	1	114.2420	0.000	1	113.2420	2.000	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>,1|O<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]O)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	113.3740	1.068	2	113.3740	1.140	2	113.3740	1.140	2	111.5877	10.143	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,7|C<3>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,6|C<3>}	108.0150	0.000	1	108.0150	0.000	1	108.0150	0.000	1	111.5877	10.143	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CCO){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[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	114.3295	0.323	2	114.3295	0.104	2	114.3295	0.104	2	114.3295	0.104	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO)	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(COO){1|O<2>,2|C<3>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	113.6670	0.000	1	113.6670	0.000	1	113.6670	0.000	1	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5,6]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(CC[6a]O)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(CNO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(CC[6a]O){2|C<4>,2|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(CNO)(H){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[5]C)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	111.1810	0.000	1	111.1810	0.000	1	111.1810	0.000	1	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:B[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(B[5]O[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]B[5]C[5]H)(C[5]C[5]HH)(COO){2|O<2>,4|H<1>}	C[5](C[5]C[5]HH)(B[5]O[5]2)(N[5]C[5]C)(H){2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|B<3>,3|H<1>}	113.1960	0.000	1	113.1960	0.000	1	113.1960	0.000	1	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(N[5]C[5]C)(H){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.3780	0.000	1	112.3780	0.000	1	111.8650	0.302	4	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CC[6a]O){2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<4>,2|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.3915	0.069	2	111.3915	0.005	2	111.8650	0.302	4	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){2|N<3>,4|H<1>}	C[5](C[5]C[5]HH)(C[5]N[5]2)(N[5]C[5]C)(H){2|C<4>,2|O<1>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.2990	0.000	1	112.2990	0.000	1	111.8650	0.302	4	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.5678	0.666	4	111.5678	0.443	4	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.7517	1.103	12	111.7517	1.217	12	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.4445	1.148	2	112.4445	1.317	2	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.7360	0.552	2	112.7360	0.304	2	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.5824	0.296	17	112.5824	0.088	17	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	111.3850	0.470	6	111.3850	0.221	6	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCS){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.8095	0.656	6	111.8095	0.431	6	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.9585	0.302	4	111.9585	0.091	4	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.3920	0.000	1	112.3920	0.000	1	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.4817	1.417	6	111.4817	2.007	6	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.4440	0.000	1	111.4440	0.000	1	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNN){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.8880	0.000	1	111.8880	0.000	1	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CN[5]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.8928	0.435	5	112.8928	0.189	5	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	112.9649	0.534	8	112.9649	0.285	8	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	113.5845	0.387	2	113.5845	0.150	2	112.1886	0.806	77	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	Si[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]Si[5]HH)(C[5]C[5]CH)(CCO)	C[5](C[5]Si[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]Si[5]HH)(C[5]C[5]CH)(CCO){2|C<4>,2|H<1>}	C[5](C[5]Si[5]HH)(N[5]C[5]C)(CNO)(H){2|C<4>,2|H<1>}	C[5](Si[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	116.0130	1.824	2	116.0130	3.328	2	116.0130	3.328	2	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,5,6]-4:N[5]-3:C-3:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(CNO)(H)	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5,6]CH)(C[5]C[5,5,6]HH)(C[6a]C[6a]2){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(CNO)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5,6]C[5,5,6]2H)(N[5]C[6a]C[5])(H)2{2|C<4>,3|H<1>,4|C<3>}	113.1890	0.000	1	113.1890	0.000	1	113.1890	0.000	1	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6]-4:N[5]-3:N-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5,6]HN)(C[6a]C[6a]2){2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(NC[6a]N)(H){2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[6a]C[5])(H)2{1|N<3>,2|C<3>,2|C<4>,4|H<1>}	111.7480	0.000	1	111.7480	0.000	1	111.7480	0.000	1	112.2839	1.147	88	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CC[5]O)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5]CH)(CC[5]O){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCH)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(COO)(H){1|H<1>,3|C<3>}	112.2940	0.000	1	112.2940	0.000	1	112.2940	0.000	1	112.6372	0.402	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){2|H<1>,4|C<3>}	C[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){2|H<1>,4|C<3>}	111.9430	0.000	1	111.9430	0.000	1	111.9430	0.000	1	112.6372	0.402	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)2(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	113.1560	0.263	2	113.1560	0.069	2	113.1560	0.069	2	112.6372	0.402	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:P-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H){1|C<3>,3|H<1>}	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CCO)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(COO)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(CCO){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|N<3>,1|O<1>,3|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>}	114.9030	0.000	1	114.9030	0.000	1	114.9030	0.000	1	113.8295	2.305	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5]HO)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5]HO)(COO){1|C<3>,3|H<1>}	112.7560	0.000	1	112.7560	0.000	1	112.7560	0.000	1	113.8295	2.305	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:3:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CCO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CCN)(CNO){2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|H<1>,3|C<3>}	113.7810	0.000	1	113.7810	0.000	1	113.3115	0.441	2	113.3115	0.441	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:3:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]N)(CNO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	112.8420	0.000	1	112.8420	0.000	1	113.3115	0.441	2	113.3115	0.441	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:S[5]-2:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO)	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H)	C[5](N[5]C[5]C)(S[5]C[5])(H)2	N[5](C[5]C[5]CH)(C[5]S[5]HH)(COO){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(CC[5a]HN)(H){2|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	115.4640	0.000	1	115.4640	0.000	1	115.4640	0.000	1	115.4640	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO)	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CCO){2|C<4>}	C[5](C[5]O[5]CC)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|H<1>,3|C<4>}	109.8480	0.000	2	109.8480	0.000	2	111.0385	0.543	13	111.0385	0.543	13	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(CC[6a]O){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	110.5270	0.000	1	110.5270	0.000	1	111.0385	0.543	13	111.0385	0.543	13	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[5]HO)(H){2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	111.4703	0.571	7	111.4703	0.326	7	111.0385	0.543	13	111.0385	0.543	13	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HH)(H){2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	111.1480	0.000	1	111.1480	0.000	1	111.0385	0.543	13	111.0385	0.543	13	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6]HO)(H){2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	110.6750	0.000	1	110.6750	0.000	1	111.0385	0.543	13	111.0385	0.543	13	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	111.1620	0.000	1	111.1620	0.000	1	111.0385	0.543	13	111.0385	0.543	13	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6]O)	C[5](C[5,5]C[5]3)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(CC[6]O){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<1>,1|O<2>,6|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	112.6610	0.000	1	112.6610	0.000	1	112.6610	0.000	1	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(COO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(COO){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)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]C)(H)2{1|C<3>,2|C<4>,4|H<1>}	112.5090	0.000	1	112.5090	0.000	1	112.5090	0.000	1	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	113.0750	0.000	1	113.0750	0.000	1	112.0872	1.715	11	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	114.1630	0.000	1	114.1630	0.000	1	112.0872	1.715	11	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	112.5830	0.000	1	112.5830	0.000	1	112.0872	1.715	11	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CPdHH)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CCO){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CPdHH)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	111.8960	0.887	2	111.8960	0.786	2	112.0872	1.715	11	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	112.4420	0.000	1	112.4420	0.000	1	112.0872	1.715	11	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[5a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	110.2430	0.000	1	110.2430	0.000	1	112.0872	1.715	11	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	110.5380	0.000	1	110.5380	0.000	1	112.0872	1.715	11	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	110.4670	0.000	1	110.4670	0.000	1	112.0872	1.715	11	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	112.0830	0.000	1	112.0830	0.000	1	112.0872	1.715	11	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HO)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	113.5730	0.000	1	113.5730	0.000	1	112.0872	1.715	11	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:Si-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(CCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(CCH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(SiC[6a]3)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Si<4>,3|H<1>}	112.7680	0.000	1	112.7680	0.000	1	112.7680	0.000	1	112.2069	1.378	14	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)2(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	112.5590	0.000	1	112.5590	0.000	1	112.8823	0.292	6	112.8823	0.292	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)2(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHI)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	112.1720	0.000	1	112.1720	0.000	1	112.8823	0.292	6	112.8823	0.292	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)2(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	112.7560	0.000	1	112.7560	0.000	1	112.8823	0.292	6	112.8823	0.292	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)2(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC3)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	113.2850	0.000	1	113.2850	0.000	1	112.8823	0.292	6	112.8823	0.292	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)2(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	112.8230	0.000	1	112.8230	0.000	1	112.8823	0.292	6	112.8823	0.292	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)2(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H)	N[5](C[5]C[5]CH)2(COO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	113.6990	0.000	1	113.6990	0.000	1	112.8823	0.292	6	112.8823	0.292	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)2(COO)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H)	N[5](C[5]C[5,5]CH)2(COO){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|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(CHHN)(H){1|O<2>,2|C<4>,2|H<1>}	109.5630	0.000	1	109.5630	0.000	1	109.5630	0.000	1	112.5893	1.473	11	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	N[5](C[5]C[5]CH)2(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	112.6925	0.558	2	112.6925	0.311	2	112.8919	0.517	10	112.5893	1.473	11	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(CCO){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[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	113.6290	0.000	1	113.6290	0.000	1	112.8919	0.517	10	112.5893	1.473	11	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	112.8930	0.000	1	112.8930	0.000	1	112.8919	0.517	10	112.5893	1.473	11	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(COO)	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)2(COO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){2|C<4>,2|H<1>}	112.6675	0.203	2	112.6675	0.041	2	112.8919	0.517	10	112.5893	1.473	11	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(COO){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[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	113.9020	0.000	1	113.9020	0.000	1	112.8919	0.517	10	112.5893	1.473	11	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)2(COO){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[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(H){1|C<4>,3|H<1>}	111.5410	0.000	1	111.5410	0.000	1	112.8919	0.517	10	112.5893	1.473	11	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)2(COO){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[5](C[5]C[5]HO)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,3|H<1>}	113.1170	0.795	2	113.1170	0.632	2	112.8919	0.517	10	112.5893	1.473	11	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:3:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	115.4440	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CC[6a]O)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(COO)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CC[6a]O){1|H<1>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]HH)(COO){2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	113.3870	0.000	1	113.3870	0.000	1	113.3870	0.000	1	113.3870	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:3:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCC)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CC)(C[5]C[5,5]HH)(CCC){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[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>}	112.7610	0.000	1	112.7610	0.000	1	112.7610	0.000	1	113.1610	0.320	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:3:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CCC)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]C)(CCHH)(COO)	C[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]CC)(C[5]C[5]HH)(CCC){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[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{1|C<4>,3|C<3>}	113.5610	0.000	1	113.5610	0.000	1	113.5610	0.000	1	113.1610	0.320	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:3:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC){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|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	114.2660	0.000	1	114.2660	0.000	1	114.5547	0.212	3	114.5547	0.212	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:3:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(COO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5,5]CH)(CCC){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|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	114.6990	0.547	2	114.6990	0.300	2	114.5547	0.212	3	114.5547	0.212	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	3:2:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-3:H-1:	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CCO)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CCO){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CCC)(H){2|C<4>,2|H<1>}	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	109.8010	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	3:2:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-3:O[5]-2:C-4:H-1:	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CC[6a]O)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(CH3)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(CC[6a]O){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CCHH)(CH3){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){2|C<4>,2|H<1>}	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	110.9530	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[3,5,5]-4:N[5]-3:C-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5,5]CC)(C[5]C[5,5]HH)(CC[6a]O)	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]C[5]C)(CH3)2	C[5](C[5,5]C[3,5,5]C[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[3,5,5]CC)(C[5]C[5,5]HH)(CC[6a]O){1|H<1>,3|C<4>}	C[5](C[3,5,5]C[3,5]C[5,5]C[3])(N[5]C[5]C)(CH3)2{2|C<4>,6|H<1>}	C[5](C[5,5]C[3,5,5]C[5]H)(N[5]C[5]C)(H)2{2|H<1>,5|C<4>}	112.2050	0.000	1	112.2050	0.000	1	112.2050	0.000	1	112.8980	0.960	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(COO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[5]C[5]CO)(N[5]C[5]C)(CHHO)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2{1|O<2>,3|C<4>}	113.5910	0.000	1	113.5910	0.000	1	113.5910	0.000	1	112.8980	0.960	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:4:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:N[5]-3:C-2:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CCO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(CCO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(CCHO){1|C<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC)(H){2|C<4>,2|H<1>}	112.8120	0.000	1	112.8120	0.000	1	112.8120	0.000	1	112.8120	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:S[5]-2:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO)	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5](N[5]C[5]C)(S[5]C[5])(H)2	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	112.8630	0.000	1	112.8630	0.000	1	112.8630	0.000	1	112.8630	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[3]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[3]C[5]H)(C[5]O[5]CC)(COO)	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[3]C[5]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	C[5](C[3]C[3]O[3]H)(C[5]O[5]HH)(N[5]C[5]C)(H){4|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	110.7760	0.000	1	110.7760	0.000	1	110.7760	0.000	1	111.6103	0.334	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C-4:N[5]-3:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO)	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]CH)(C[5]O[5]CC)(COO){2|H<1>}	C[5](C[5]O[5]HH)(CC[5,6]HH)(N[5]C[5]C)(H){2|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	111.0590	0.000	1	111.0590	0.000	1	111.0590	0.000	1	111.6103	0.334	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO){1|C<3>,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){2|C<3>,3|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	112.1260	0.000	1	112.0980	0.002	2	112.0980	0.002	2	111.6103	0.334	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO)	C[5](C[5]C[5]O[5]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]2H)(C[5]O[5]CC)(COO){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|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	112.0700	0.000	1	112.0980	0.002	2	112.0980	0.002	2	111.6103	0.334	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[6]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO)	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	C[5](C[6]C[6,6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){3|C<3>,3|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	112.0510	0.000	1	112.0510	0.000	1	111.8155	0.111	2	111.6103	0.334	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:4:4:	C[5]-4:C[5]-4:C-3:	C[6]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO)	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2	N[5](C[5]C[5]C[6]H)(C[5]O[5]CC)(COO){1|C<4>,1|O<2>,3|H<1>}	C[5](C[6]C[6]O[6]H)(C[5]O[5]HH)(N[5]C[5]C)(H){1|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[5]C)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	111.5800	0.000	1	111.5800	0.000	1	111.8155	0.111	2	111.6103	0.334	6	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CC[6a]O)	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[4]C[5]H)(C[5]C[5]HH)(CC[6a]O){1|C<4>,1|O<2>,5|H<1>}	C[5](C[4]C[4]O[4]H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	110.4225	1.179	2	110.4225	1.389	2	110.4225	1.389	2	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[3]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HH)(CCO)	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]C[3]H)(C[5]C[5,5]HH)(CCO){1|C<3>,2|C<4>,2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[3]C[3]2C)(N[5]C[5]C)(H){1|C<4>,1|O<2>,7|H<1>}	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>}	111.0120	0.000	1	111.0120	0.000	1	111.0120	0.000	1	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(CC[6a]O)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(CC[6a]O){1|C<4>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<4>,2|O<2>,5|H<1>}	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>}	110.1580	0.225	2	110.1580	0.051	2	111.2530	3.622	3	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(COO)	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	N[5](C[5]C[5,5]C[5]H)(C[5]C[5,5]HH)(COO){1|C<4>,3|H<1>,3|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(C[5]C[5]O[5]H)(N[5]C[5]C)(H){2|C<4>,2|O<2>,5|H<1>}	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>}	113.4430	0.000	1	113.4430	0.000	1	111.2530	3.622	3	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	112.5800	0.255	2	112.5800	0.065	2	112.5800	0.065	2	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(CCO){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){1|C<3>,2|C<4>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	112.9440	0.000	1	112.9440	0.000	1	112.7644	0.577	8	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]N[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){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){1|O<2>,2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	112.2425	0.739	4	112.2425	0.546	4	112.7644	0.577	8	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	113.5630	0.000	1	113.5010	0.008	2	112.7644	0.577	8	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	113.4390	0.000	1	113.5010	0.008	2	112.7644	0.577	8	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(COO){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){2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	113.1990	0.000	1	113.1990	0.000	1	112.7644	0.577	8	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(SiC[6a]2O)(N[5]C[5]C)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|Si<4>,3|H<1>}	112.5570	0.000	1	112.5570	0.000	1	112.5570	0.000	1	112.0852	1.619	17	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]CH)(COO)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]2H)(C[5]C[5]CH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	113.3875	0.401	2	113.3875	0.161	2	113.3875	0.161	2	113.3875	0.161	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:4:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[5]2H)2(CCS)	C[5](C[5]C[5]O[5]C)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	N[5](C[5]C[5]2H)2(CCS){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>,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<3>,2|C<4>,5|H<1>}	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	112.4530	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	113.4660	0.000	1	113.4660	0.000	1	113.4660	0.000	1	113.4660	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:4:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|C<4>,3|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	113.6720	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:4:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:N[5]-3:N[5]-2:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH)	C[5](C[5]C[6a]N[5])(N[5]C[5]S)(H)2	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(SC[6a]OO){3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(CCCH){3|C<3>,4|H<1>}	C[5](C[5]C[6a]N[5])(N[5]C[5]S)(H)2{1|C<4>,3|C<3>}	110.8545	0.366	2	110.8545	0.134	2	110.8545	0.134	2	110.8545	0.134	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	113.3380	0.000	1	113.3380	0.000	1	113.1495	0.071	2	113.1495	0.071	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	112.9610	0.000	1	112.9610	0.000	1	113.1495	0.071	2	113.1495	0.071	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,6a]C[6a]H)2(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,6a]C[6a]H)2(SC[6a]OO){6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){4|H<1>,5|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){4|H<1>,5|C<3>}	114.4140	0.000	1	114.4140	0.000	1	114.4140	0.000	1	113.7470	0.890	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(CC[6a]O)(H){2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	113.0800	0.000	1	113.0800	0.000	1	113.0800	0.000	1	113.7470	0.890	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:P-4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5,6a]CC)2(PC[6a]2O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2	N[5](C[5]C[5,6a]CC)2(PC[6a]2O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	111.9090	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	P[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](P[6]N[5]N[6]2)(C[5]C[5]HH)2	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	N[5](P[6]N[5]N[6]2)(C[5]C[5]HH)2{2|C<4>,2|P<4>,4|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|N<3>,2|N<2>,4|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|N<3>,2|N<2>,4|H<1>}	111.1430	0.660	2	111.1430	0.436	2	111.1430	0.436	2	111.1430	0.436	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCOO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCOO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	112.2890	0.000	1	112.2890	0.000	1	112.7375	0.373	4	112.7375	0.373	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	113.1240	0.000	1	113.1240	0.000	1	112.7375	0.373	4	112.7375	0.373	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	112.1490	0.000	1	112.1490	0.000	1	112.7375	0.373	4	112.7375	0.373	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	113.3880	0.000	1	113.3880	0.000	1	112.7375	0.373	4	112.7375	0.373	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){2|C<2>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|H<1>,2|C<2>}	115.0590	0.000	1	115.0590	0.000	1	115.0590	0.000	1	115.0590	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:4:3:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO){1|C<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(COO){1|C<2>,1|C<3>,2|H<1>}	114.0920	0.000	1	114.0920	0.000	1	114.0920	0.000	1	114.0920	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:2:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:O-2:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]O)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(OSi){3|C<3>,5|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	113.0670	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrCH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrCH){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.9580	0.000	1	112.9580	0.000	1	112.9580	0.000	1	112.9580	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:4:3:	4:3:4:4:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:C-4:C-4:	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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,3|C<4>}	114.5230	0.000	1	114.5230	0.000	1	114.5230	0.000	1	114.5230	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|N<3>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	111.0240	0.000	1	111.0240	0.000	1	111.0240	0.000	1	111.0240	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	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:	N[5]-3:N[5]-3:N-3: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[5](N[5]C[5]C)2(NCH)(H)	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[5](N[5]C[5]C)2(NCH)(H){4|H<1>}	111.5025	0.013	2	111.5025	0.000	2	111.5025	0.000	2	111.5025	0.000	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	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(CAlNN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CAlNN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.2873	0.093	3	111.2873	0.009	3	111.3891	0.035	7	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	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(CMgNN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CMgNN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.4655	0.213	4	111.4655	0.045	4	111.3891	0.035	7	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PCHW)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PCHW){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	110.8460	0.000	1	110.8460	0.000	1	110.5224	0.826	14	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PCoOO)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PCoOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	109.6620	0.000	1	109.6620	0.000	1	110.5224	0.826	14	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PN[5]2I)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2I){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	110.6995	0.504	2	110.6995	0.254	2	110.5224	0.826	14	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PN[5]2N)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2N){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	109.7222	0.807	5	109.7222	0.652	5	110.5224	0.826	14	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PN[5]NN)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]NN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	111.3592	0.257	5	111.3592	0.066	5	110.5224	0.826	14	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.6310	0.000	1	112.6310	0.000	1	112.6310	0.000	1	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	112.3000	0.000	1	112.3000	0.000	1	112.3000	0.000	1	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SCOO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SCOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	110.9650	0.000	1	110.9650	0.000	1	111.9243	0.763	4	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	112.6920	0.000	1	112.6920	0.000	1	111.9243	0.763	4	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	111.4030	0.000	1	111.4030	0.000	1	111.9243	0.763	4	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SNOO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SNOO){2|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	112.6370	0.000	1	112.6370	0.000	1	111.9243	0.763	4	111.0987	0.961	27	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	113.8810	0.000	1	113.8810	0.000	1	113.4652	0.115	4	113.4652	0.115	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|C<4>,3|H<1>}	113.2220	0.000	1	113.2220	0.000	1	113.4652	0.115	4	113.4652	0.115	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	113.3790	0.314	2	113.3790	0.099	2	113.4652	0.115	4	113.4652	0.115	4	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<3>,2|H<1>}	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(COO){4|H<1>}	114.2870	0.000	1	114.2870	0.000	1	113.2470	2.163	2	113.2470	2.163	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HH)(CCH)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HH)(CCH){4|H<1>}	112.2070	0.000	1	112.2070	0.000	1	113.2470	2.163	2	113.2470	2.163	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	111.4333	1.583	3	111.4333	2.507	3	111.4333	2.507	3	111.4333	2.507	3	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:P-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PN[5]2O)	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PN[5]2O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{1|C<4>,3|H<1>}	110.2210	0.000	1	110.2210	0.000	1	110.2210	0.000	1	111.3355	2.484	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	112.4500	0.000	1	112.4500	0.000	1	112.4500	0.000	1	111.3355	2.484	2	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	113.9420	0.000	1	113.9420	0.000	1	113.9420	0.000	1	113.9420	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP2_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(CH3)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(CH3){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	111.8860	0.000	1	112.0121	3.080	1202	111.7049	6.127	1883
542	474	474	5:SP3_SP3_SP3	N[3x5,6]	C[3x5,6]	C[5,5,6,6]	4:4:4:	4:3:2:3:	3:4:3:4:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6,6]-4:N[3x5,6]-3:O[5,6]-2:C[6a]-3:	N[3x5,6]-3:C[5,6,6]-4:C[5,6]-3:C-4:	N[3x5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[6a])(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6]HH)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,5,6,6](N[3x5,6]C[3x5,6]C[5,6])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]O)(CH3)	N[3x5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[6a])(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6]HH){1|O<1>,2|C<3>,5|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[5,5,6,6](N[3x5,6]C[3x5,6]C[5,6])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	94.3442	0.000	1	94.3442	0.000	1	94.3442	0.000	1	94.3442	0.000	1	94.3442	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5,6]	C[3x5,6]	C[5,6]	4:4:4:	4:3:2:3:	3:4:1:1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,5,6,6]-4:N[3x5,6]-3:O[5,6]-2:C[6a]-3:	N[3x5,6]-3:C[5,6]-4:H-1:H-1:	N[3x5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[6a])(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6]HH)	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2)	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2	N[3x5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[6a])(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6]HH){1|O<1>,2|C<3>,5|H<1>}	C[3x5,6](C[5,5,6,6]C[5,6,6]C[5,6]H)(N[3x5,6]C[5,5,6,6]C[5,6])(O[5,6]C[5,6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	103.3910	0.000	1	103.3910	0.000	1	103.3910	0.000	1	103.3910	0.000	1	103.3910	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:3:	3:4:3:1:	3:3:3:1:	C[5,5]-4:C[5,5]-4:C[5,5]-3:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)(C[5]C[5]O)(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2){1|Br<1>,1|O<1>,6|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,2|C<3>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)(C[5]C[5]O)(H){2|C<4>,3|H<1>}	112.2800	0.000	1	112.2800	0.000	1	112.2800	0.000	1	112.2800	0.000	1	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-3:C[5]-3:Br-1:	N[3x5]-3:C[5]-3:C[5]-3:Br-1:	N[3x5](C[5,5]C[5]2Br)3	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Br)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Br)	N[3x5](C[5,5]C[5]2Br)3{6|Cl<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Br){2|Br<1>,2|Cl<1>,2|C<3>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Br){2|Br<1>,2|Cl<1>,2|C<3>}	110.4018	0.373	6	110.4018	0.139	6	110.4018	0.139	6	110.0910	0.525	15	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-3:C[5]-3:Cl-1:	N[3x5]-3:C[5]-3:C[5]-3:Cl-1:	N[3x5](C[5,5]C[5]2Cl)3	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Cl)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Cl)	N[3x5](C[5,5]C[5]2Cl)3{6|Cl<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Cl){4|Cl<1>,2|C<3>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(Cl){4|Cl<1>,2|C<3>}	110.4022	0.378	6	110.4022	0.143	6	110.4022	0.143	6	110.0910	0.525	15	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	N[3x5]-3:C[5]-3:C[5]-3:H-1:	N[3x5](C[5,5]C[5]2H)3	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H)	N[3x5](C[5,5]C[5]2H)3{6|Cl<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H){2|Cl<1>,2|C<3>,2|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Cl)2(H){2|Cl<1>,2|C<3>,2|H<1>}	108.8470	0.264	3	108.8470	0.070	3	108.8470	0.070	3	110.0910	0.525	15	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:1:	3:3:3:2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	N[3x5]-3:C[5]-3:C[5]-3:O-2:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)2(OH)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){2|Br<1>,6|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br)2(OH){2|C<4>,4|H<1>}	108.7270	0.285	4	108.7270	0.081	4	108.7270	0.081	4	108.7270	0.081	4	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){2|Br<1>,6|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<3>,3|H<1>}	107.3910	0.153	2	107.3910	0.023	2	107.3910	0.023	2	107.3910	0.023	2	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:3:2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){3|Br<1>,7|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH){2|C<4>,5|H<1>}	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	108.5100	0.000	1	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-3:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){3|Br<1>,7|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)(C[5]C[5]H)(H){1|Br<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|O<2>,2|C<3>,3|H<1>}	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	107.9790	0.000	1	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:3:2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){3|Br<1>,7|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]Br)(OH){2|C<4>,5|H<1>}	110.1610	0.000	1	110.1610	0.000	1	109.2983	0.740	3	109.2983	0.740	3	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:3:2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){2|Br<1>,1|O<1>,8|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH){2|C<4>,6|H<1>}	109.2930	0.000	1	108.8670	0.363	2	109.2983	0.740	3	109.2983	0.740	3	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:3:2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	N[3x5]-3:C[5]-4:C[5]-3:O-2:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){2|Br<1>,1|O<1>,8|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]Br2)(C[5]C[5]O)(OH){2|C<4>,6|H<1>}	108.4410	0.000	1	108.8670	0.363	2	109.2983	0.740	3	109.2983	0.740	3	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){11|H<1>,1|Br<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	108.1440	0.000	1	106.9405	2.897	2	106.9405	2.897	2	106.9405	2.897	2	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){2|Br<1>,1|O<1>,8|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){2|Br<1>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	105.7370	0.000	1	106.9405	2.897	2	106.9405	2.897	2	106.9405	2.897	2	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:2:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	N[3x5]-3:C[5]-4:C[5]-4:O-2:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){11|H<1>,1|Br<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|Br<1>,1|O<2>,2|C<4>,4|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.0720	0.000	1	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:2:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	N[3x5]-3:C[5]-4:C[5]-4:O-2:	N[3x5]-3:C[5]-4:C[5]-4:H-1:	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH)	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H)	N[3x5](C[5,5]C[5]2H)2(C[5,5]C[5]2O){11|H<1>,1|Br<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]BrH)(C[5]C[5]HH)(OH){2|C<4>,6|H<1>}	C[5,5](N[3x5]C[5,5]2)(C[5]C[5]HH)2(H){1|O<2>,2|C<4>,5|H<1>}	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	108.5560	0.000	1	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[3x5]	C[5,5]	C[5,5]	4:4:4:	4:3:2:1:	4:3:2:1:	C[5,5]-4:C[5,5]-4:C[5,5]-4:	C[5,6]-4:N[3x5]-3:O[5]-2:H-1:	C[5,6]-4:N[3x5]-3:O[5]-2:H-1:	N[3x5](C[5,5]C[5,6]O[5]H)3	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H)	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H)	N[3x5](C[5,5]C[5,6]O[5]H)3{6|C<4>}	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]O[5])(N[3x5]C[5,5]2)(O[5]C[5,6])(H){2|O<2>,5|C<4>,5|H<1>}	106.8473	0.131	3	106.8473	0.017	3	106.8473	0.017	3	106.8473	0.017	3	109.1109	2.116	34	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6,6]	C[5,5,6,6]	C[5,5,6,6]	4:4:4:	4:3:4:1:	4:3:4:2:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH){4|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	99.2344	0.084	2	99.2190	0.003	4	99.2190	0.003	4	99.2190	0.003	4	99.2190	0.003	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6,6]	C[5,5,6,6]	C[5,5,6,6]	4:4:4:	4:3:4:1:	4:3:4:2:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH){4|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|O<2>,6|C<4>,8|H<1>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	99.2036	0.000	2	99.2190	0.003	4	99.2190	0.003	4	99.2190	0.003	4	99.2190	0.003	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6,6]	C[5,5,6,6]	C[5,6]	4:4:4:	4:3:4:2:	4:3:1:1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH){4|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	101.8440	0.008	2	101.7390	0.015	4	101.7390	0.015	4	101.7390	0.015	4	101.7390	0.015	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6,6]	C[5,5,6,6]	C[5,6]	4:4:4:	4:3:4:2:	4:3:1:1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[6,6]-4:O-2:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH){4|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,6,6]H)(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[6,6]C[5,5x6]HH)(OH){3|H<1>,6|C<4>}	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|O<2>,4|C<4>,4|H<1>}	101.6340	0.000	2	101.7390	0.015	4	101.7390	0.015	4	101.7390	0.015	4	101.7390	0.015	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5,6,6]	4:4:4:	4:4:3:4:	4:3:4:1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5,6]-3:C-4:	C[5,6,6]-4:N[5,5,6]-3:C[5,6]-4:H-1:	N[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2C)(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6,6]C[5])(CCHH)	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H)	N[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2C)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6,6]C[5])(CCHH){1|C<4>,1|O<2>,7|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6,6]C[5]H)(N[5,5,6]C[3x5,6]C[5])(C[5,6]C[5,5,6]HH)(H){1|C<3>,2|O<2>,4|C<4>,4|H<1>}	103.4790	0.000	1	103.4790	0.000	1	103.4790	0.000	1	103.4790	0.000	1	103.4790	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5,6]	4:4:4:	3:3:3:4:	4:3:4:1:	C[3x5,6]-4:C[5,6]-4:S[5]-4:	C[5,6,6a]-3:C[5,6a]-3:N[5,5,6]-3:C[5,5]-4:	C[5,5,6]-4:N[5,5,6]-3:C-4:H-1:	N[5,5,6](C[3x5,6]C[5,6,6a]C[5,6a]C[5,5])(C[5,6]C[5,5,6]CH)(S[5]C[5,6a]OO)	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH)	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H)	N[5,5,6](C[3x5,6]C[5,6,6a]C[5,6a]C[5,5])(C[5,6]C[5,5,6]CH)(S[5]C[5,6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[3x5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6a]C[5,6a]C[6a])(N[5,5,6]C[5,6]S[5])(C[5,5]C[5,5,6]CH){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](C[5,5,6]C[5,6,6a]C[5,5]C)(N[5,5,6]C[3x5,6]S[5])(CCHH)(H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	106.4880	0.000	1	106.4880	0.000	1	106.4880	0.000	1	106.4880	0.000	1	104.8375	5.448	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:C[5,5]-4:H-1:	C[5,5,6]-4:N[5,5,6]-3:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH){2|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H){7|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,5,6]C[3x5,6]C[5])(H)2{1|O<2>,2|C<4>,4|H<1>}	103.1870	0.000	1	103.1870	0.000	1	103.1870	0.000	1	103.1870	0.000	1	104.8375	5.448	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:3:4:	3:4:2:2:	3:4:1:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	N[5,5,6]-3:C[5,6]-4:S[5,5]-2:S[5]-2:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,6]C[5,6]CH)(S[5,5]C[5,5,6])(S[5]C[5]){1|C<3>,1|O<1>,6|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	116.1470	0.448	2	116.1470	0.201	2	116.1470	0.201	2	116.1470	0.201	2	109.8399	32.794	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:3:4:	4:3:2:2:	3:4:1:1:	C[3x5,6]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:S[5,5]-2:S[5]-2:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5])	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]S[5,5]S[5])(C[5,6]C[5,5,6]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(S[5,5]C[5,5,6])(S[5]C[5]){1|N<3>,2|C<3>,2|O<1>,5|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]S[5]HH)(H)2{1|O<1>,1|S<2>,2|C<4>}	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	115.3570	0.000	1	109.8399	32.794	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:4:4:	3:4:3:4:	3:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	N[5,5,6]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH){1|N<2>,1|N<3>,7|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH){1|C<3>,7|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.3000	0.000	1	106.1705	0.034	2	106.1705	0.034	2	106.1705	0.034	2	109.8399	32.794	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:4:4:	3:4:3:4:	3:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	N[5,5,6]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH){2|N<2>,7|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH){1|C<3>,6|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.0410	0.000	1	106.1705	0.034	2	106.1705	0.034	2	106.1705	0.034	2	109.8399	32.794	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:C[5,5]-4:H-1:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H)	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,5,6](C[3x5,6]C[5,5,6]C[5,5]H)(C[5,6]C[5,5,6]HH)(C[5]C[5]HH){2|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]O[5,6]C[5]H)(N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HO)(H){7|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	103.6190	0.000	1	103.6190	0.000	1	103.6190	0.000	1	103.6190	0.000	1	109.8399	32.794	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5]	4:4:4:	4:4:3:4:	3:4:1:1:	C[5,6,6]-4:C[3x5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,5,6]-4:N[5,5,6]-3:C-4:	N[5,5,6]-3:C[5]-4:H-1:H-1:	N[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2C)(C[5]C[5]HH)	C[3x5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6,6]C[5])(CCHH)	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2	N[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[3x5,6]C[5,5,6]2C)(C[5]C[5]HH){1|O<2>,2|C<4>,7|H<1>}	C[3x5,6](C[5,5,6]C[5,5,6,6]C[5]H)(C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6,6]C[5])(CCHH){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,5,6]C[3x5,6]C[5,6,6])(C[5]C[5,5,6]HH)(H)2{2|H<1>,5|C<4>}	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	105.2680	0.000	1	109.8399	32.794	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,5,6,6]	C[5,5,6,6]	4:4:4:	3:3:3:4:	3:3:3:4:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[6]-4:	N[5,5,6]-3:C[5a,6]-3:N[5,6,6]-3:C[5,6]-4:	N[5,5,6]-3:C[5a,6]-3:C[5,6]-3:C[5,6]-4:	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH)	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC)	N[5,5,6](C[5,5,6,6]N[5,6,6]C[5a,6]C[5,6])(C[5,5,6,6]C[5a,6]C[5,6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|N<3>,3|C<4>,4|H<1>}	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(N[5,6,6]C[5,6]C[6])(C[5,6]C[5,6]HH){1|O<1>,3|C<3>,4|C<4>,5|H<1>}	C[5,5,6,6](N[5,5,6]C[5,5,6,6]C[6])(C[5a,6]C[5a,6]N[5a])(C[5,6]N[5,6,6]O)(C[5,6]C[5,6]CC){2|C<4>,3|C<3>,5|H<1>}	94.8062	0.000	1	94.8062	0.000	1	94.8062	0.000	1	94.8062	0.000	1	94.8062	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,5,6]	C[5,5,6]	4:4:4:	3:3:4:1:	4:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:	N[5,5,6]-3:C[5,5]-3:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,5,6]-3:C[5]-3:H-1:	N[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CC)	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H)	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H)	N[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CC){1|H<1>,1|S<2>,2|O<1>,3|C<4>}	C[5,5,6](N[5,5,6]C[5,5,6]C[5])(C[5,5]C[5,5,6]O)(C[5,6]S[5,6]CC)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|C<4>}	106.5780	0.000	1	106.5780	0.000	1	106.5780	0.000	1	106.5780	0.000	1	106.5780	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,5,6]	C[5,6]	4:4:4:	4:3:4:1:	3:3:1:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:N[5,5,6]-3:C[6]-4:H-1:	N[5,5,6]-3:C[5,6]-3:H-1:H-1:	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]C)(H)2	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2{3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H){4|C<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	101.4460	0.000	1	101.4460	0.000	1	101.4460	0.000	1	101.4460	0.000	1	100.4476	1.994	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,5,6]	C[5,6]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:	C[5,5,6,6]-4:N[5,5,6]-3:C[6]-4:H-1:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H)	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2{3|C<3>,4|H<1>}	C[5,5,6](C[5,5,6,6]C[5,6]2C[6])(N[5,5,6]C[5,6]2)(C[6]C[5a,6]HH)(H){4|C<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	99.4492	0.000	1	99.4492	0.000	1	99.4492	0.000	1	99.4492	0.000	1	100.4476	1.994	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,5,6]	C[5]	4:4:4:	4:3:3:1:	3:3:4:4:	C[5,5,6]-4:C[5,5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:C[5]-3:H-1:	N[5,5,6]-3:N[5]-3:C-4:C-4:	N[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CC)	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H)	C[5](N[5,5,6]C[5,5,6]2)(N[5]C[5]C)(CH3)2	N[5,5,6](C[5,5,6]C[5,5,6]C[5]H)(C[5,5,6]C[5,5]C[5,6]H)(C[5]N[5]CC){1|H<1>,1|S<2>,2|O<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,5,6]C[5,5,6]C[5])(C[5]N[5]O)(H){1|H<1>,1|O<1>,4|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>}	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	106.8870	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,5]	C[5,6]	4:4:3:	3:4:3:3:	3:3:3:2:	C[5,5]-4:C[5,6]-4:N[5,6]-3:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[5]-3:	N[5,5,6]-3:C[6]-3:C[6a]-3:O[5]-2:	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6])	C[5,5](N[5,5,6]C[5,6]N[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	N[5,5,6](C[5,5]C[5,5]C[6a]C[5])(C[5,6]C[6a]C[6]O[5])(N[5,6]C[5,5]C[5,6]){1|C<4>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](N[5,5,6]C[5,6]N[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[5]O[5]O){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[5,6](N[5,5,6]C[5,5]N[5,6])(C[6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){1|O<1>,2|H<1>,3|C<3>,4|C<4>}	102.9560	0.000	1	102.9560	0.000	1	102.9560	0.000	1	102.9560	0.000	1	102.2770	0.922	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,5]	C[5,6]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5,6]-4:S[5,6]-4:	C[5,5,6]-4:N[5,5,6]-3:C[6a]-3:H-1:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	N[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(S[5,6]O[5,6]OO)	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H)	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6](C[5,5]C[5,5,6]C[6a]H)(C[5,6]C[5,6]HH)(S[5,6]O[5,6]OO){2|C<3>,3|H<1>}	C[5,5](C[5,5,6]C[5,6]O[5,6]H)(N[5,5,6]C[5,6]S[5,6])(C[6a]C[6a]2)(H){2|C<3>,2|O<1>,6|H<1>}	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|O<2>,2|H<1>,2|O<1>}	101.5980	0.000	1	101.5980	0.000	1	101.5980	0.000	1	101.5980	0.000	1	102.2770	0.922	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6,6]	C[5,5]	4:4:2:	4:3:4:1:	3:4:4:1:	C[5,6,6]-4:C[5,5]-4:O[5,6]-2:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	N[5,5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	N[5,5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6]){1|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	107.4110	0.000	1	107.3910	0.001	2	107.3910	0.001	2	107.3910	0.001	2	107.3910	0.001	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6,6]	C[5,5]	4:4:2:	4:3:4:1:	3:4:4:1:	C[5,6,6]-4:C[5,5]-4:O[5,6]-2:	C[5,5,6]-4:N[5,5,6]-3:C[6,6]-4:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	N[5,5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6])	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H)	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H)	N[5,5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,5]C[5]2H)(O[5,6]C[5,6]){1|C<4>,3|C<3>,6|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,5,6]C[5,5]O[5,6])(C[6,6]C[6,6]HH)(H){1|N<3>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](N[5,5,6]C[5,6,6]O[5,6])(C[5]C[5,5,6]HH)(C[5]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	107.3710	0.000	1	107.3910	0.001	2	107.3910	0.001	2	107.3910	0.001	2	107.3910	0.001	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5]	4:3:4:	3:4:4:2:	3:4:4:1:	C[5,6]-4:C[5,6]-3:C[5,5]-4:	N[5,5,6]-3:C[5]-4:C[6]-4:O-2:	N[5,5,6]-3:C[5]-4:C[5]-4:H-1:	N[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]N[5]N[6])(C[5,5]C[5]2H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH)	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H)	N[5,5,6](C[5,6]C[5]C[6]O)(C[5,6]N[5]N[6])(C[5,5]C[5]2H){1|C<3>,1|C<4>,9|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5]C[5]HH)(C[6]C[6]HH)(OH){1|C<3>,2|H<1>,2|N<3>,3|C<4>}	C[5,5](N[5,5,6]C[5,6]2)(C[5]C[5]CH)(C[5]N[5]HH)(H){1|C<4>,1|N<3>,1|O<2>,3|H<1>}	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	110.0540	0.000	1	105.6412	4.965	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5]	4:4:4:	3:3:3:1:	4:3:3:1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[6,6a]-3:N[5]-3:H-1:	C[5]-4:N[5,5,6]-3:C[5]-3:H-1:	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H)	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H){4|H<1>,6|C<3>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H){1|C<4>,3|H<1>,7|C<3>}	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	107.4940	0.000	1	105.6412	4.965	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,5]-4:C[5,6]-4:S[5,6]-4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,5,6]-4:H-1:H-1:	N[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]OO)	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2	C[5,5](N[5,5,6]C[5,6]S[5,6])(C[5,5,6]C[5,6]2H)(H)2	N[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]C[5,6]HH)(S[5,6]C[5,6]OO){5|H<1>}	C[5,6](N[5,5,6]C[5,5]S[5,6])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	C[5,5](N[5,5,6]C[5,6]S[5,6])(C[5,5,6]C[5,6]2H)(H)2{2|O<1>,6|H<1>}	101.1200	0.000	1	101.1200	0.000	1	101.1200	0.000	1	101.1200	0.000	1	105.6412	4.965	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5]	4:4:4:	3:4:2:1:	3:4:4:4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[5,6]-4:O[5]-2:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:C-4:	N[5,5,6](C[5,6]C[5,6]O[5]H)2(C[5,5]C[5]2C)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO)	N[5,5,6](C[5,6]C[5,6]O[5]H)2(C[5,5]C[5]2C){1|N<3>,2|O<2>,6|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO){2|C<4>,2|H<1>}	103.9815	0.326	2	103.9815	0.106	2	103.9815	0.106	2	105.2160	1.405	6	105.6412	4.965	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5]	4:4:4:	3:4:2:1:	3:4:4:4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:C-4:	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H)	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO)	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO){2|C<4>,2|H<1>}	106.5720	0.291	2	106.5720	0.085	2	105.8333	0.783	4	105.2160	1.405	6	105.6412	4.965	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5]	4:4:4:	3:4:2:1:	3:4:4:4:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,5,6]-3:C[5]-4:C[5]-4:C-4:	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H)	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO)	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](N[5,5,6]C[5,6]2)(C[5]O[5]HH)2(CHHO){2|C<4>,2|H<1>}	105.0945	0.284	2	105.0945	0.080	2	105.8333	0.783	4	105.2160	1.405	6	105.6412	4.965	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5]	4:4:4:	3:4:4:1:	4:3:3:1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[6]-4:C[5,5]-4:H-1:	C[5]-4:N[5,5,6]-3:C[5]-3:H-1:	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H)	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H){4|H<1>,6|C<3>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5,6]C[5,6]2)(C[5]C[5]N[5])(H){1|C<4>,3|H<1>,7|C<3>}	104.5490	0.000	1	104.5490	0.000	1	104.5490	0.000	1	104.5490	0.000	1	105.6412	4.965	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5]	4:4:4:	3:4:4:1:	4:4:3:3:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5,5,6]-3:C-3:	N[5,5,6](C[5,6]C[5,5]C[6]H)2(C[5,5]C[5,5]2C)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5,6]C[5,6]2)(COO)	N[5,5,6](C[5,6]C[5,5]C[6]H)2(C[5,5]C[5,5]2C){1|I<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5,6]C[5,6]2)(COO){2|C<3>,2|C<4>,2|N<3>,2|O<1>,4|H<1>}	106.3040	0.000	1	106.3040	0.000	1	106.5910	0.165	2	106.5910	0.165	2	105.6412	4.965	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5]	4:4:4:	3:4:4:1:	4:4:3:3:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	C[5,5]-4:C[5,5]-4:N[5,5,6]-3:C-3:	N[5,5,6](C[5,6]C[5,5]C[6]H)2(C[5,5]C[5,5]2C)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5,6]C[5,6]2)(COO)	N[5,5,6](C[5,6]C[5,5]C[6]H)2(C[5,5]C[5,5]2C){1|I<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5,6]C[5,6]2)(COO){2|C<3>,2|C<4>,2|N<3>,2|O<1>,4|H<1>}	106.8780	0.000	1	106.8780	0.000	1	106.5910	0.165	2	106.5910	0.165	2	105.6412	4.965	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5,6]	C[5,5,6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[3x5,6]-4:C[5,5,6]-4:C-3:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	N[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(COO)	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H)	N[5,5](C[3x5,6]C[5,5,6]2H)(C[5,5,6]C[5,6]2H)(COO){1|C<3>,2|O<2>,5|H<1>}	C[3x5,6](C[5,5,6]C[5,6]C[5]H)(C[5,5,6]C[5,6]O[5]H)(N[5,5]C[5,5,6]C)(H){1|O<1>,1|O<2>,4|H<1>}	C[5,5,6](C[5,6]C[5,5,6]HH)(C[5,6]C[5,5,6]HO)(N[5,5]C[3x5,6]C)(H){1|C<3>,1|O<2>,3|H<1>}	98.9536	0.000	1	98.9536	0.000	1	98.9536	0.000	1	98.9536	0.000	1	98.9536	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5,6]	C[5]	4:4:4:	4:3:3:2:	3:4:1:1:	C[3x5,6]-4:C[5]-4:S[5]-4:	C[3x5,6]-4:C[5,6]-3:N[5,5]-3:O[5]-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,5]C[5]S[5])(O[5]C[5])	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO){1|O<1>,3|C<4>,4|H<1>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]O)(N[5,5]C[5]S[5])(O[5]C[5]){2|O<1>,3|C<4>,9|H<1>}	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2{1|C<3>,2|C<4>,2|O<1>}	105.4830	0.000	1	105.4830	0.000	1	105.4830	0.000	1	105.4830	0.000	1	106.3868	1.314	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5,6]	C[5]	4:4:4:	4:4:3:2:	3:4:1:1:	C[3x5,6]-4:C[5]-4:S[5]-4:	C[3x5,6]-4:C[5,6]-4:N[5,5]-3:O[5]-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO)	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,5]C[5]S[5])(O[5]C[5])	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2	N[5,5](C[3x5,6]C[3x5,6]C[5,6]O[5])(C[5]C[5]HH)(S[5]C[5]OO){1|O<2>,3|C<4>,5|H<1>}	C[3x5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]HO)(N[5,5]C[5]S[5])(O[5]C[5]){2|O<1>,3|C<4>,9|H<1>}	C[5](N[5,5]C[3x5,6]S[5])(C[5]O[5]HH)(H)2{2|O<1>,3|C<4>}	105.3350	0.000	1	105.3350	0.000	1	105.3350	0.000	1	105.3350	0.000	1	106.3868	1.314	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5,6]	C[5]	4:4:4:	4:4:3:3:	3:3:1:1:	C[3x5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:N[5,5]-3:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5]C[5]HH)2	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2)	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,6]C)(H)2	N[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5]C[5]HH)2{1|C<4>,3|H<1>,5|C<3>}	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2){1|O<2>,4|C<3>,8|H<1>}	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,6]C)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	107.5960	0.000	1	106.3868	1.314	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5,6]	C[5]	4:4:4:	4:4:3:3:	3:4:1:1:	C[3x5,6]-4:C[5]-4:C[5]-4:	C[5,5,6]-4:C[5,6]-4:N[5]-3:N[5,5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5]C[5]HH)2	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2)	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2	N[5,5](C[3x5,6]C[5,5,6]C[5,6]N[5])(C[5]C[5]HH)2{1|C<4>,3|H<1>,5|C<3>}	C[3x5,6](C[5,5,6]C[5,6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5]C[5,6a]C)(N[5,5]C[5]2){1|O<2>,4|C<3>,8|H<1>}	C[5](N[5,5]C[3x5,6]C[5])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	107.1330	0.000	1	107.1330	0.000	1	107.1330	0.000	1	107.1330	0.000	1	106.3868	1.314	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5,5]	4:4:4:	3:4:3:4:	3:4:4:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5,5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|O<2>,4|C<3>,6|H<1>}	C[3x5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C){3|C<3>,3|C<4>,7|H<1>}	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	107.0000	0.000	1	107.0000	0.000	1	107.0000	0.000	1	107.0000	0.000	1	108.5722	4.139	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5,5]	4:4:4:	4:3:4:3:	3:4:4:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O){2|C<3>,3|C<4>,6|H<1>}	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	110.5790	0.000	1	108.0500	4.819	3	108.0500	4.819	3	108.0500	4.819	3	108.5722	4.139	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5,5]	4:4:4:	4:3:4:3:	3:4:4:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5,5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[3x5](C[5,5]C[5,6a]O[5]O)(N[5,5]C[5,5]C[5])(C[5,5]C[5]2C)(C[5]C[5,6a]O){2|C<3>,3|C<4>,6|H<1>}	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	106.7855	0.210	2	108.0500	4.819	3	108.0500	4.819	3	108.0500	4.819	3	108.5722	4.139	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5,5]	4:4:4:	4:3:4:3:	4:3:2:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH)	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[5,5]C[5,5]C[5])	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,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[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	109.7020	0.335	2	109.7020	0.112	2	109.7020	0.112	2	109.7020	0.112	2	108.5722	4.139	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5,5]	4:4:4:	4:3:4:3:	4:3:4:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	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[5,5]C[5,5]C[5])	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	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[5,5]C[5,5]C[5]){1|O<1>,3|C<4>,5|C<3>,7|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	111.4310	0.000	1	111.4310	0.000	1	110.9610	0.442	2	110.9610	0.442	2	108.5722	4.139	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5,5]	4:4:4:	4:3:4:3:	4:3:4:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5,5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH)	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[5,5]C[5,5]C[5])	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,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[5,5]C[5,5]C[5]){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	110.4910	0.000	1	110.4910	0.000	1	110.9610	0.442	2	110.9610	0.442	2	108.5722	4.139	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5,5]	4:4:4:	4:4:3:3:	4:3:4:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]C[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	106.5340	0.596	3	106.5340	0.356	3	107.5975	4.761	4	107.5975	4.761	4	108.5722	4.139	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5,5]	4:4:4:	4:4:3:3:	4:3:4:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[3x5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5]C[5,6a]N[5,6]O)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,3|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	110.7880	0.000	1	110.7880	0.000	1	107.5975	4.761	4	107.5975	4.761	4	108.5722	4.139	12	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:3:4:	4:3:3:2:	3:4:1:1:	C[3x5]-4:C[5,6a]-3:C[5]-4:	C[5,5]-4:N[5,5]-3:N[5,5]-3:O-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH)	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,6a]C[3x5])(C[5]N[5,5]HH)(H)2{1|C<4>,1|O<2>,3|C<3>}	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	109.5490	0.000	1	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:2:	3:4:4:4:	3:4:3:1:	C[3x5]-4:C[5]-4:O[5]-2:	N[5,5]-3:C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CH)(O[5]C[5])	C[3x5](N[5,5]C[5]O[5])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH)	C[5](N[5,5]C[3x5]O[5])(C[5]C[5]HH)(CC[6a]N)(H)	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]CH)(O[5]C[5]){4|C<4>,7|H<1>}	C[3x5](N[5,5]C[5]O[5])(C[5,5]C[5]2H)(C[5]C[5]CC)(C[5]C[5]HH){1|C<3>,9|H<1>}	C[5](N[5,5]C[3x5]O[5])(C[5]C[5]HH)(CC[6a]N)(H){5|C<4>}	108.1275	0.367	2	108.1275	0.135	2	108.1275	0.135	2	108.1275	0.135	2	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:3:3:1:	3:4:3:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O)	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H)	N[5,5](C[3x5]C[5,5]N[5,5]H)(C[5]C[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<3>}	C[3x5](C[5,5]C[5,6a]C[5]O)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(H){1|O<1>,3|H<1>,4|C<3>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(COO)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	112.9505	0.006	2	112.9505	0.000	2	112.9505	0.000	2	112.9505	0.000	2	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:3:3:2:	3:4:1:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:N[5,5]-3:O-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]N[5]O)	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH)	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	N[5,5](C[3x5]C[5,5]N[5,5]O)(C[5]C[5]HH)(C[5]N[5]O){2|C<3>,2|C<4>,2|H<1>}	C[3x5](C[5,5]C[5,6a]N[5]C)(N[5,5]C[5,6a]C[5])(N[5,5]C[5]2)(OH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	106.5830	0.000	1	106.5830	0.000	1	106.5830	0.000	1	106.5830	0.000	1	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:3:4:2:	3:4:3:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:O[5]-2:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]O)	C[3x5](C[5,5]C[5]2H)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]CH)(COO)(H)	N[5,5](C[3x5]C[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]O){1|C<3>,2|C<4>,6|H<1>}	C[3x5](C[5,5]C[5]2H)(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|O<1>,7|H<1>}	C[5](N[5,5]C[3x5]C[5])(C[5]O[5]CH)(COO)(H){1|O<1>,3|C<4>}	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	109.3710	0.000	1	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:3:4:2:	4:3:1:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[3x5]-4:N[5,5]-3:C[5]-4:O[5]-2:	C[5,5]-4:N[5,5]-3:H-1:H-1:	N[5,5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5,5]HH)(C[5]C[5]O)	C[3x5](C[3x5]C[5,5]2O[5])(N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])	C[5](C[5,5]C[3x5]O[5]H)(N[5,5]C[3x5]C[5])(H)2	N[5,5](C[3x5]C[3x5]C[5]O[5])(C[5]C[5,5]HH)(C[5]C[5]O){1|C<4>,1|S<4>,2|O<2>,5|H<1>}	C[3x5](C[3x5]C[5,5]2O[5])(N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5]){1|C<4>,2|O<2>,3|O<1>,6|H<1>}	C[5](C[5,5]C[3x5]O[5]H)(N[5,5]C[3x5]C[5])(H)2{1|O<1>,2|O<2>,4|C<4>}	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	110.4600	0.000	1	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:3:4:3:	3:2:4:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O)	C[3x5](C[5,5]C[5]2O)(N[5,5]C[5]2)(C[5]O[5]HH)(C[5]O[5]O)	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[3x5]C[5,5]C[5]2)(C[5]O[5]CH)(C[5]C[5]O){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[3x5](C[5,5]C[5]2O)(N[5,5]C[5]2)(C[5]O[5]HH)(C[5]O[5]O){1|O<1>,2|C<4>,4|H<1>}	C[5](N[5,5]C[3x5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	109.9960	0.000	1	109.9960	0.000	1	109.9960	0.000	1	109.9960	0.000	1	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O){1|Br<1>,1|O<2>,2|C<3>,4|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|Br<1>,1|C<3>,2|O<1>,4|H<1>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	112.1220	0.118	3	112.2460	0.036	5	112.2460	0.036	5	112.2460	0.036	5	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:4:3:2:	3:4:1:1:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5]-4:C[5,5]-4:N[5,5]-3:O-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O)	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH)	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2	N[5,5](C[3x5]C[5,5]2O)(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|O<2>,4|H<1>}	C[3x5](C[5,5]C[5]O[5]H)(C[5,5]C[5]2H)(N[5,5]C[5]2)(OH){1|C<3>,1|O<2>,2|O<1>,4|H<1>}	C[5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	112.4320	0.000	2	112.2460	0.036	5	112.2460	0.036	5	112.2460	0.036	5	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:3:	4:4:3:2:	4:3:4:4:	C[3x5]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,5]-4:N[5,5]-3:O-2:	C[5,6]-4:N[5,5]-3:C-4:C-4:	N[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]C[5,6]CC)(C[5]C[5]O)	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH)	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2	N[5,5](C[3x5]C[5,5,6]C[5,5]O)(C[5]C[5,6]CC)(C[5]C[5]O){2|H<1>,3|C<4>,3|O<2>}	C[3x5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5,5]C[5]O[5]O)(N[5,5]C[5]2)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[5](C[5,6]C[5,5,6]C[6]H)(N[5,5]C[3x5]C[5])(CH3)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	109.3220	0.000	1	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[3x5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[3x5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C[5,5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH)	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){1|O<1>,5|C<3>,6|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5,5]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,3|C<4>}	105.0250	0.000	1	105.0250	0.000	1	105.0250	0.000	1	105.0250	0.000	1	110.2308	5.785	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6,6]	C[5]	4:4:3:	4:3:3:3:	4:3:3:1:	C[5,5,6,6]-4:C[5]-4:C[5]-3:	C[5,3x6]-4:C[6,6]-3:N[5,5]-3:C[5]-3:	C[5,6,6]-4:N[5,5]-3:C-3:H-1:	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(C[5]C[5]O)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C)	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(CNO)(H)	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(C[5]C[5,6,6]CH)(C[5]C[5]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]O)(N[5,5]C[5]2)(C[5]C[5]C){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5,5]C[5,5,6,6]C[5])(CNO)(H){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	110.1950	0.000	1	109.6820	0.724	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6,6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[5]-3:	C[5,5,6,6]-4:C[5,3x6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,5,6,6]HH)(H)2	N[5,5](C[5,5,6,6]C[5,5,6,6]C[5,3x6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[5,3x6]C[6,6]2C[5])(N[5,5]C[5]2)(H){10|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,5]C[5,5,6,6]C[5])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	110.8970	0.000	1	109.6820	0.724	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6,6]	C[5]	4:4:4:	4:3:3:4:	3:4:1:1:	C[5,5,6,6]-4:S[5]-4:C[5]-4:	C[5,3x6]-4:N[5,5]-3:C[6,6]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(S[5]C[5,6,6]OO)(C[5]C[5]HH)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(N[5,5]C[5]S[5])(C[6,6]C[3x6]O)(C[5]C[5]HH)	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(S[5]C[5,6,6]OO)(C[5]C[5]HH){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(N[5,5]C[5]S[5])(C[6,6]C[3x6]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<1>}	108.9415	0.015	2	108.9415	0.000	2	108.9415	0.000	2	108.9415	0.000	2	109.6820	0.724	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6,6]	C[5]	4:4:4:	4:4:3:4:	3:4:1:1:	C[5,5,6,6]-4:S[5]-4:C[5]-4:	C[5,3x6]-4:C[6,6]-4:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(S[5]C[5,6,6]OO)(C[5]C[5]HH)	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH)	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5,6,6]C[5,3x6]C[6,6]C[5])(S[5]C[5,6,6]OO)(C[5]C[5]HH){1|C<2>,1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,5,6,6](C[5,3x6]C[5,6,6]C[6,6]H)(C[6,6]C[3x6]CO)(N[5,5]C[5]S[5])(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<1>,7|H<1>}	C[5](N[5,5]C[5,5,6,6]S[5])(C[5]C[5]HH)(H)2{2|H<1>,2|O<1>,3|C<4>}	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.4350	0.000	1	109.6820	0.724	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:1:	3:4:4:4:	3:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5](C[5,5,6]C[5,6]2C)2(H)	C[5,5,6](N[5,5]C[5,5,6]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HW)(CH3)	C[5,5,6](N[5,5]C[5,5,6]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HW)(CH3)	N[5,5](C[5,5,6]C[5,6]2C)2(H){1|W<7>,2|C<3>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HW)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[5,5,6](N[5,5]C[5,5,6]H)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HW)(CH3){1|C<3>,1|C<4>,2|H<1>}	97.8145	0.000	1	97.8145	0.000	1	97.8145	0.000	1	97.8145	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:2:	3:3:3:1:	3:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:N-2:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	N[5,5](C[5,5,6]C[5,6,6a]2H)2(NC)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(NC){4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H){3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]N)(H){3|H<1>,4|C<3>}	95.2124	0.315	2	95.2124	0.100	2	95.2124	0.100	2	95.2124	0.100	2	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:3:3:1:	3:3:3:1:	C[5,5,6]-4:C[5,5,6]-4:P[5,5]-3:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	C[5,6,6a]-3:C[5,6,6a]-3:N[5,5]-3:H-1:	N[5,5](C[5,5,6]C[5,6,6a]2H)2(P[5,5]C[5,5,6]2)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H)	N[5,5](C[5,5,6]C[5,6,6a]2H)2(P[5,5]C[5,5,6]2){2|H<1>,8|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])2(N[5,5]C[5,5,6]P[5,5])(H){2|C<4>,3|H<1>,4|C<3>}	95.6991	0.000	1	95.6991	0.000	1	95.6991	0.000	1	95.6991	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(COO){1|P<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|P<3>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HP)(H){2|C<3>,4|H<1>}	97.4672	0.000	1	97.4672	0.000	1	97.4672	0.000	1	95.1855	3.910	3	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	N[5,5]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,5]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[6a]C[6a]2)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)2(C[6a]C[6a]2){2|N<3>,4|C<3>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H){1|N<3>,2|H<1>,5|C<3>}	94.0446	0.101	2	94.0446	0.010	2	94.0446	0.010	2	95.1855	3.910	3	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:2:1:	3:4:2:1:	C[5,5,6]-4:C[5,5,6]-4:C[6a]-3:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	N[5,5]-3:C[5,6]-4:S[5,6]-2:H-1:	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H)	N[5,5](C[5,5,6]C[5,6]S[5,6]H)2(C[6a]C[6a]2){2|C<3>,6|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(C[5,6]S[5,6]HH)(S[5,6]C[5,6])(H){2|C<3>,3|H<1>}	100.2363	0.704	5	100.2363	0.495	5	100.2363	0.495	5	100.2363	0.495	5	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,5,6]C[5,6,6a]C[5,6]H)(COO){1|H<1>,1|S<4>,2|C<3>,2|O<2>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,5,6]C[5,6]O[5]2)(N[5,5]C[5,5,6]C)(H){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,5,6]HS)(N[5,5]C[5,5,6]C)(H){2|C<3>,2|H<1>,2|O<2>}	97.0012	0.000	1	97.0012	0.000	1	97.0012	0.000	1	97.0012	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:3:1:	3:4:3:3:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-3:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-3:C-3:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(CNO)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){6|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(H){1|C<3>,3|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]H)(CNO){4|H<1>}	95.6751	0.000	1	95.6751	0.000	1	95.6751	0.000	1	95.6751	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:3:4:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:N-3:	N[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2H)(NHS)	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3)	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2H)(NHS){1|C<3>,6|H<1>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(H){1|Si<4>,1|C<3>,2|H<1>}	96.3931	0.000	2	96.3931	0.000	2	96.3931	0.000	2	96.3931	0.000	2	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:3:4:	3:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:N-3:	N[5,5]-3:C[5,6]-4:C[5,6]-3:Si-4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2C)(NHS)	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3)	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(CH3)	N[5,5](C[5,5,6]C[5,6]2Si)(C[5,5,6]C[5,6]2C)(NHS){1|C<3>,6|H<1>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]C)(SiC3){1|C<4>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]N)(C[5,6]C[5,6]HH)2(CH3){1|Si<4>,1|C<3>,2|H<1>}	96.5861	0.000	3	96.5861	0.000	3	96.5861	0.000	3	96.5861	0.000	3	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:Br-1:	N[5,5](C[5,5,6]C[5,6]2Br)(C[5,5,6]C[5,6]2H)(CC[6a]O)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(Br)	N[5,5](C[5,5,6]C[5,6]2Br)(C[5,5,6]C[5,6]2H)(CC[6a]O){1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|Br<1>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(Br){1|C<3>,4|H<1>}	95.0956	0.000	1	95.0956	0.000	1	95.0956	0.000	1	96.9189	1.573	4	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2H)2(CC[6a]S){8|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){5|H<1>}	97.5266	0.378	3	97.5266	0.143	3	97.5266	0.143	3	96.9189	1.573	4	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:1:	3:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O){1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CHHO){1|C<3>,4|H<1>}	97.1751	0.000	1	97.1751	0.000	1	97.1751	0.000	1	97.1751	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:3:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(COO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){1|O<2>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(C[5,6]C[5,6]HO)(COO){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|O<2>,3|H<1>}	96.5769	0.000	1	96.5769	0.000	1	96.5769	0.000	1	96.5769	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[5,6]O){1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	97.3153	0.012	2	97.3153	0.000	2	97.2924	0.061	6	97.2924	0.061	6	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O){1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	97.2875	0.000	1	97.2875	0.000	1	97.2924	0.061	6	97.2924	0.061	6	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:C-3:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5]-3:C[5,6]-4:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(COO){1|C<3>,7|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]CH)(C[5,6]C[5,6]HH)(CHHO){5|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(H){1|C<3>,1|C<4>,3|H<1>}	97.2789	0.391	3	97.2789	0.153	3	97.2924	0.061	6	97.2924	0.061	6	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:3:	4:3:4:1:	3:4:4:4:	C[5,5,6]-4:C[5,5,6]-4:C-3:	C[5,6]-4:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5,6]-4:C[5,6]-4:C-4:	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O)	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H)	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CH3)	N[5,5](C[5,5,6]C[5,6]2C)(C[5,5,6]C[5,6]2H)(CC[6a]O){1|Br<1>,7|H<1>}	C[5,5,6](C[5,6]C[5,6]BrH)(N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)(H){1|C<4>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C)(C[5,6]C[5,6]HH)2(CH3){1|Br<1>,4|H<1>}	97.3149	0.000	1	97.3149	0.000	1	97.3149	0.000	1	97.3149	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:4:	3:3:4:1:	3:3:4:1:	C[5,5,6]-4:C[5,5,6]-4:S-4:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5,6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(SC[6a]OO)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(N[5,5]C[5,5,6]S)(C[5,6]C[5,6]CH)(H){2|C<3>,4|H<1>}	96.7626	0.000	1	96.7626	0.000	1	96.7626	0.000	1	96.7626	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:4:	3:4:3:1:	3:4:3:1:	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:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3: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[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)	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[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>}	96.1453	0.230	2	96.1453	0.053	2	96.1453	0.053	2	94.9098	1.296	5	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5,5,6]-4:C[5,5,6]-4:P-4:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	C[5,6,6a]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(PC[6a]2Pd)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H)	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H)	N[5,5](C[5,5,6]C[5,6,6a]C[5,6]H)2(PC[6a]2Pd){2|C<3>,2|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H){2|C<3>,3|H<1>}	C[5,5,6](C[5,6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]PdH)(N[5,5]C[5,5,6]P)(H){2|C<3>,3|H<1>}	94.0862	0.148	3	94.0862	0.022	3	94.0862	0.022	3	94.9098	1.296	5	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:4:	3:4:3:1:	3:4:3:4:	C[5,5,6]-4:C[5,5,6]-4:S-4:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:H-1:	C[5,6,6a]-3:C[5,5,6]-4:N[5,5]-3:C-4:	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)(SC[6a]OO)	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]S)(H)	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]S)(CH3)	N[5,5](C[5,5,6]C[5,6,6a]C[5,5,6]C)(C[5,5,6]C[5,6,6a]C[5,5,6]H)(SC[6a]OO){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]S)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|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]S)(CH3){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	97.4754	0.000	1	97.4754	0.000	1	97.4754	0.000	1	97.4754	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:4:	3:4:3:3:	3:4:3:4:	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[5,6]-4:N[5,6]-3:C-4:	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[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)	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[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>}	95.8116	0.000	1	95.8116	0.000	1	95.8116	0.000	1	95.8116	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5,6]	4:4:4:	4:3:4:1:	4:3:4:1:	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:	C[5,6,6]-4:N[5,5]-3:C[5,6]-4: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[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)	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[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>}	95.6854	0.000	1	95.6854	0.000	1	95.6854	0.000	1	95.6854	0.000	1	96.7970	2.963	41	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5]	4:4:2:	4:4:3:1:	3:2:3:4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){1|C<3>,2|C<4>,2|H<1>}	104.8355	0.658	2	104.6670	0.302	3	104.7208	0.161	5	104.7208	0.161	5	104.7208	0.161	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5]	4:4:2:	4:4:3:1:	3:2:3:4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,2|H<1>,4|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CCHH){2|H<1>,3|C<4>}	104.3300	0.000	1	104.6670	0.302	3	104.7208	0.161	5	104.7208	0.161	5	104.7208	0.161	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,5]	4:4:2:	4:4:3:1:	3:2:3:4:	C[5,5,6]-4:C[5,5]-4:O[5]-2:	C[5,5,6]-4:C[5,5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:O[5]-2:N[5]-3:C-4:	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5])	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H)	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CH3)	N[5,5](C[5,5,6]C[5,5,6]2H)(C[5,5]N[5]O[5]C)(O[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>,3|C<4>}	C[5,5,6](C[5,5,6]C[5,5,6]O[5]H)(C[5,5,6]C[5,5]C[5,6]H)(N[5,5]C[5,5]O[5])(H){1|C<3>,1|N<3>,2|H<1>,5|C<4>}	C[5,5](N[5,5]C[5,5,6]O[5])(O[5]C[5,5,6])(N[5]C[5]Pt)(CH3){1|C<3>,2|C<4>,2|H<1>}	104.8015	0.139	2	104.8015	0.019	2	104.7208	0.161	5	104.7208	0.161	5	104.7208	0.161	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5,6]	4:4:4:	4:4:3:1:	3:4:2:4:	C[5,5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5,6]-4:O[6]-2:C-4:	N[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H)	C[5,6](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6,6]HH)(O[6]C[6,6])(CH3)	N[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[5,6](N[5,5]C[5,5,6]C[5])(C[5,6]C[5,6,6]HH)(O[6]C[6,6])(CH3){1|C<3>,3|H<1>,5|C<4>}	105.5260	0.416	2	105.5260	0.173	2	105.5260	0.173	2	105.5260	0.173	2	105.5260	0.173	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:3:4:	4:3:4:4:	3:4:1:1:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[6a]N[5])(C[5]C[5]HH){2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[6a]2C[5])(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	107.7540	0.000	1	107.7540	0.000	1	107.7540	0.000	1	107.7540	0.000	1	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:3:4:	4:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[5]-3:C[5]-4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]C[5]HH)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]2)(H)2	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[6a]N[5])(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]C[6a]2)(H)2{1|N<2>,2|C<4>,2|H<1>,5|C<3>}	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	110.2330	0.000	1	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:2:	4:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:O[5]-2:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,5])	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H)	C[5](N[5,5]C[5,5,6]O[5])(C[5]C[5,6]CH)(H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(O[5]C[5,5]){1|S<2>,2|H<1>,5|C<4>}	C[5,5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]S)(N[5,5]C[5]O[5])(H){10|H<1>,4|C<4>}	C[5](N[5,5]C[5,5,6]O[5])(C[5]C[5,6]CH)(H)2{1|H<1>,1|S<2>,3|C<4>}	107.0705	0.626	2	107.0705	0.392	2	107.0705	0.392	2	105.6305	1.468	6	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:2:	4:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:O[5]-2:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5,6]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(O[5]C[3,5])	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H)	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5,6]HH)(O[5]C[3,5]){2|O<2>,3|C<4>,3|H<1>}	C[5,5,6](C[5,6]C[3,5]C[6]H)(C[5,6]C[5,6]HO)(N[5,5]C[5]O[5])(H){1|O<2>,2|C<4>,5|H<1>}	C[5](N[5,5]C[5,5,6]O[5])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,2|H<1>,3|C<4>}	104.9105	0.493	4	104.9105	0.243	4	104.9105	0.243	4	105.6305	1.468	6	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5]HH)(C[5]C[5]N){1|C<3>,1|C<4>,1|O<1>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(H)2{1|C<3>,1|H<1>,1|N<2>,2|C<4>}	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:3:3:	3:3:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5]-3:N[5,5]-3:C[6]-3:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,1|I<1>,1|O<1>,2|C<3>,2|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5])(N[5,5]C[5]2)(C[6]C[6]H){1|I<1>,2|O<1>,3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]O)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	111.4305	0.718	2	111.4305	0.515	2	111.4305	0.515	2	111.4305	0.515	2	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)(C[5]C[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(C[5]C[5]CH)(C[6]C[6]H){1|O<1>,2|C<3>,8|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,3|C<4>}	113.2250	0.000	1	113.2250	0.000	1	113.2250	0.000	1	113.2250	0.000	1	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:4:	3:4:3:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-4:C[6]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]O[5]O)	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,1|O<2>,7|H<1>}	C[5,5,6](C[5,6]C[6]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(C[6]O[6]HH){1|Br<1>,1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	113.2260	0.000	1	113.2260	0.000	1	113.2260	0.000	1	113.2260	0.000	1	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>,7|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	112.4710	0.000	1	112.4710	0.000	1	112.4710	0.000	1	111.5825	1.579	2	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-3:	C[5,6]-4:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]N[5]O)	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,6]2H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<2>,5|H<1>}	C[5,5,6](C[5,6]C[5]O[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(H){1|C<3>,1|O<1>,7|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	110.6940	0.000	1	110.6940	0.000	1	110.6940	0.000	1	111.5825	1.579	2	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:4:	3:4:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CCHH)(H){2|C<3>,2|C<4>,2|H<1>}	108.3240	0.000	1	108.3240	0.000	1	107.6140	1.008	2	107.8800	0.716	3	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:4:	3:4:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]N[5,6]O)(CC[6a]HH)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	106.9040	0.000	1	106.9040	0.000	1	107.6140	1.008	2	107.8800	0.716	3	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:4:	3:4:3:1:	3:3:4:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5a]-3:C[5]-4:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]C[5a]C[5]H)(C[5]C[5]CH){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5a]C[5a]N[5a])(C[5]C[5,6]HH)(H){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	107.8800	0.716	3	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:N[6a]-3:H-1:	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH)	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H)	N[5,5](C[5,5,6]C[5,6]N[5,6]H)(C[5]N[6a]C[5]H)(C[5]C[5]CH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[5,5,6](N[5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(N[6a]C[6a]2)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	107.6110	0.000	1	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:4:	4:3:3:3:	3:3:3:1:	C[5,5,6]-4:C[5]-4:S[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-3:C[6]-3:	N[5,5]-3:C[5]-3:C-3:H-1:	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(S[5]C[5]OO)	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H)	C[5](N[5,5]C[5,5,6]S[5])(C[5]C[5]I)(CCC)(H)	N[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5]C[5]CH)(S[5]C[5]OO){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5]S[5])(C[5]C[6a]C[5])(C[6]C[6]H){1|I<1>,2|O<1>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5,6]S[5])(C[5]C[5]I)(CCC)(H){2|C<3>,2|C<4>,2|O<1>}	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	111.6030	0.000	1	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[6]C)(C[5]C[5]HH)	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H)	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[5,6]O[6]C)(C[5]C[5]HH){1|C<3>,4|C<4>,4|H<1>}	C[5,5,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[6,6]C)(N[5,5]C[5,6]C[5])(H){1|N<3>,2|C<3>,2|C<4>,2|O<2>,8|H<1>}	C[5](N[5,5]C[5,5,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|H<1>,1|O<2>,4|C<4>}	108.5100	0.181	2	108.5100	0.033	2	108.5100	0.033	2	108.5100	0.033	2	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:4:	4:4:3:3:	3:3:3:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:C-3:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(CNO)	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(CNO){1|S<4>,2|C<3>,8|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<4>,4|C<3>,5|H<1>}	108.5556	1.533	5	108.5556	2.350	5	108.5556	2.350	5	108.5556	2.350	5	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:C-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5,5,6](C[5,6]C[5]C[6]H)2(N[5,5]C[5]2)(CNO)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(N[5,5]C[5]2)(CNO){2|C<2>,2|C<3>,8|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{2|C<3>,2|H<1>,3|C<4>}	109.2270	0.000	1	109.2270	0.000	1	108.5510	0.920	6	108.5510	0.920	6	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5,6]	C[5]	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[5]-4:	C[5,6]-4:C[5,6]-4:N[5,5]-3:C-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]N[5]H)(C[5]C[5]HH)	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(CNO)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]N[5]H)(C[5]C[5]HH){1|C<4>,1|S<4>,3|C<3>,4|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)(C[5,6]C[6]N[5]H)(N[5,5]C[5]2)(CNO){1|S<4>,2|C<3>,8|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	108.4158	1.007	5	108.4158	1.013	5	108.5510	0.920	6	108.5510	0.920	6	108.7476	5.380	33	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[3x5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[3x5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5,5]-3:	N[5,5]-3:C[5,5]-4:C[5,5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5])	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[3x5]C[5,5]2H)(C[5]C[5]HH){1|C<4>,1|O<2>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]C[5,5]C[6a]H)(N[5,5]C[3x5]C[5]){2|C<4>,6|H<1>,7|C<3>}	C[3x5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2O[5])(C[5,5]C[5]2H)(H){1|O<1>,5|C<3>,6|H<1>}	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	105.1810	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:3:4:	3:3:3:3:	4:3:3:1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	N[5,5]-3:C[5,5]-3:C[5]-3:C[6a]-3:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,1|O<1>,2|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]O)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|C<4>,1|N<2>,2|H<1>,6|C<3>}	111.4085	0.356	2	111.4085	0.127	2	111.4085	0.127	2	111.4085	0.127	2	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:3:4:	3:3:4:3:	4:3:3:1:	C[5,5]-4:C[5,6a]-3:C[5,5]-4:	N[5,5]-3:C[5,5]-3:C[5]-4:C[6a]-3:	C[3x5]-4:N[5,5]-3:N[5]-3:H-1:	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H)	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2)	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H)	N[5,5](C[5,5]C[5,5]C[6a]C[5])(C[5,6a]C[5,6a]C[6a])(C[5,5]C[3x5]N[5]H){1|C<4>,1|N<2>,2|F<1>,2|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[3x5]N[5])(C[5]C[5,6a]FF)(C[6a]C[6a]2){1|N<3>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[3x5]C[5,6a]C[5,5]C[5])(N[5,5]C[5,6a]C[5,5])(N[5]C[5,6a]H)(H){1|N<2>,2|C<4>,2|H<1>,5|C<3>}	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	110.5290	0.000	1	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:3:	3:3:4:1:	3:4:2:4:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]C)(C[5]C[5]O){2|C<4>,3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]O[5]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	107.4540	0.000	1	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:3:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){1|O<1>,2|H<1>,3|C<3>}	113.0390	0.000	1	113.0390	0.000	1	113.0390	0.000	1	110.7280	10.681	2	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:3:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]N[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|O<1>,2|H<1>,5|C<3>}	108.4170	0.000	1	108.4170	0.000	1	108.4170	0.000	1	110.7280	10.681	2	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:3:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(N[5]C[5]H){1|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,5]N[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){1|H<1>,1|O<1>,4|C<3>}	109.0840	0.000	1	109.0840	0.000	1	109.0840	0.000	1	109.0840	0.000	1	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:3:	3:4:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:N[5]-3:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5,5]C[5]H)(N[5]C[5]H){1|N<3>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]N[5])(C[5]C[5]HH)(H){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	105.5070	0.102	2	105.5070	0.010	2	105.5070	0.010	2	105.5070	0.010	2	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:3:	3:4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<4>,3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<3>,4|H<1>}	109.6910	0.000	1	109.1900	0.502	2	109.4172	0.229	5	109.4172	0.229	5	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:3:	3:4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){3|C<3>,3|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<3>,4|H<1>}	108.6890	0.000	1	109.1900	0.502	2	109.4172	0.229	5	109.4172	0.229	5	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:3:	3:4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){2|C<3>,2|C<4>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	109.4390	0.378	2	109.4390	0.143	2	109.4172	0.229	5	109.4172	0.229	5	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:3:	3:4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]C)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	109.8280	0.000	1	109.8280	0.000	1	109.4172	0.229	5	109.4172	0.229	5	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|Fe<10>,1|N<2>,4|C<3>,4|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	106.3120	0.000	1	106.3120	0.000	1	109.0506	5.736	8	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]2H){1|N<2>,1|O<2>,2|C<4>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	106.1000	0.000	1	106.1000	0.000	1	109.0506	5.736	8	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|N<2>,3|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	111.3810	0.000	1	111.3810	0.000	1	109.0506	5.736	8	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|N<2>,1|N<3>,2|C<4>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	107.1120	0.000	1	107.1120	0.000	1	109.0506	5.736	8	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	111.7800	0.000	1	111.7800	0.000	1	109.0506	5.736	8	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,4|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH){1|C<4>,1|N<2>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){3|H<1>,5|C<3>}	109.4935	2.020	2	109.4935	4.081	2	109.0506	5.736	8	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H){1|C<4>,1|N<2>,1|N<3>,1|S<2>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	110.7330	0.000	1	110.7330	0.000	1	109.0506	5.736	8	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){3|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	110.8260	0.000	1	110.8260	0.000	1	110.5875	0.603	6	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,4|C<3>,7|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){3|C<3>,5|H<1>}	110.6670	0.000	1	110.6670	0.000	1	110.5875	0.603	6	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	109.2870	0.000	1	109.9380	0.848	2	110.5875	0.603	6	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){2|C<4>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	110.5890	0.000	1	109.9380	0.848	2	110.5875	0.603	6	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|C<4>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	111.7030	0.000	1	111.7030	0.000	1	110.5875	0.603	6	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	110.4530	0.000	1	110.4530	0.000	1	110.5875	0.603	6	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CC)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CC){2|C<3>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	110.3430	0.000	1	110.3430	0.000	1	108.6877	6.157	4	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){2|O<1>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	108.2480	3.840	2	108.2480	14.742	2	108.6877	6.157	4	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5]C[5]HH){3|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,6|H<1>}	107.9120	0.000	1	107.9120	0.000	1	108.6877	6.157	4	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5]C[5]CC){1|S<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	109.4143	4.142	19	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6a]-3:N[5,5]-3:C[5,5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3){1|N<2>,2|C<4>,2|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	111.0650	0.000	1	111.0650	0.000	1	111.0650	0.000	1	110.5536	0.466	7	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C[5,5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)(C[5,5]C[5]3){1|C<4>,1|O<1>,1|S<2>,6|C<3>,7|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	111.8140	0.000	1	111.8140	0.000	1	111.8140	0.000	1	110.5536	0.466	7	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:3:4:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:C[5]-3:C[5,5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5,5]C[5]3)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2(C[5,5]C[5]3){1|C<4>,1|O<1>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	110.1992	0.281	5	110.1992	0.079	5	110.1992	0.079	5	110.5536	0.466	7	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<3>,4|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	108.7180	0.000	1	108.7180	0.000	1	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	110.4140	0.000	1	110.4140	0.000	1	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	110.8300	0.000	1	111.4725	0.826	2	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	112.1150	0.000	1	111.4725	0.826	2	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	109.8542	2.125	6	109.8542	4.515	6	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,3|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CN)(C[5]N[5]O){2|C<4>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	110.7895	1.603	2	110.7895	2.570	2	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,6|H<1>}	109.2505	2.007	2	109.2505	4.030	2	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	106.8040	0.000	1	106.8040	0.000	1	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|N<3>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	108.1620	1.083	4	108.1620	1.173	4	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]N[5]O){1|N<2>,1|N<3>,2|C<4>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	107.4070	0.000	1	107.4070	0.000	1	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5]CC)(C[5]N[5]O){1|C<4>,1|S<2>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	111.4610	0.296	2	111.4610	0.087	2	109.5938	3.493	22	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5]CH)(C[5]N[5]O){3|C<3>,3|C<4>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	109.0620	0.000	1	109.0620	0.000	1	108.1953	0.672	3	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,7|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5,6])(C[5]C[5a]C[5]H)(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,3|H<1>}	107.7620	0.465	2	107.7620	0.216	2	108.1953	0.672	3	109.4260	3.327	25	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|S<2>,4|H<1>,5|C<3>}	106.7900	0.000	2	106.7900	0.000	2	108.5570	2.965	9	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	107.9693	1.731	3	108.4597	2.959	4	108.5570	2.965	9	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){2|C<4>,2|O<1>,5|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	109.9310	0.000	1	108.4597	2.959	4	108.5570	2.965	9	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]2N[5])(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|N<2>,2|H<1>,5|C<3>}	110.7860	0.000	1	110.7860	0.000	1	108.5570	2.965	9	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,8|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	110.4430	0.000	1	109.4040	2.159	2	108.5570	2.965	9	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|O<1>,2|S<2>,4|C<3>,8|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	108.3650	0.000	1	109.4040	2.159	2	108.5570	2.965	9	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|O<1>,1|O<2>,2|C<4>,5|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	106.3270	0.000	1	106.3270	0.000	1	108.5351	2.524	17	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,3|C<4>,4|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	106.8190	0.000	1	106.8190	0.000	1	108.5351	2.524	17	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,8|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	108.8235	0.074	2	107.6387	4.214	3	108.5351	2.524	17	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|O<2>,2|C<4>,4|C<3>,8|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	105.2690	0.000	1	107.6387	4.214	3	108.5351	2.524	17	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,5|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	108.7450	0.000	1	108.7450	0.000	1	108.5351	2.524	17	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|C<4>,1|N<3>,1|O<1>,1|S<2>,5|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	109.4166	1.399	8	109.4166	1.956	8	108.5351	2.524	17	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,1|S<2>,4|C<3>,8|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	109.0230	0.000	1	108.3187	0.816	3	108.5351	2.524	17	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,4|C<3>,8|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	107.9665	0.943	2	108.3187	0.816	3	108.5351	2.524	17	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O){2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	105.6700	0.000	1	105.6700	0.000	1	105.6700	0.000	1	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5,6a]-3:N[5,5]-3:C[5,6]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]2)(C[5]N[5]O){1|O<1>,1|S<2>,2|C<4>,5|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|H<1>,6|C<3>}	112.2380	0.000	1	112.2380	0.000	1	112.2380	0.000	1	108.5720	3.185	28	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:2:4:	3:4:2:2:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[5]-4:O[5]-2:O[5]-2:	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2{1|O<2>,2|C<3>,2|C<4>,6|H<1>}	109.9445	0.122	2	109.9445	0.015	2	109.5643	0.202	4	109.5643	0.202	4	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:2:4:	3:4:2:2:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[5]-4:O[5]-2:O[5]-2:	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])2{1|C<4>,1|O<2>,2|C<3>,7|H<1>}	109.1840	0.109	2	109.1840	0.012	2	109.5643	0.202	4	109.5643	0.202	4	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:2:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H)	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]O[5]2)(N[5,5]C[5,5]C[5])(H){2|C<4>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,5|H<1>}	104.6320	0.000	1	104.6320	0.000	1	104.6320	0.000	1	104.6320	0.000	1	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|H<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)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	110.0385	0.585	2	110.0207	0.172	3	109.9073	0.242	6	108.8958	2.924	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|H<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)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|O<1>,2|C<4>,5|H<1>,7|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	109.9850	0.000	1	110.0207	0.172	3	109.9073	0.242	6	108.8958	2.924	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]2C[5])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<2>,3|C<4>,5|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	110.1370	0.000	1	110.1370	0.000	1	109.9073	0.242	6	108.8958	2.924	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	109.0700	0.000	1	109.6225	0.611	2	109.9073	0.242	6	108.8958	2.924	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,3|C<4>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	110.1750	0.000	1	109.6225	0.611	2	109.9073	0.242	6	108.8958	2.924	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5,6]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|O<1>,1|O<2>,2|C<3>,3|C<4>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	106.2500	0.000	1	106.2500	0.000	1	106.2500	0.000	1	108.8958	2.924	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	111.1260	0.000	1	110.0210	2.442	2	108.6370	6.967	3	108.8958	2.924	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|S<2>,3|C<4>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	108.9160	0.000	1	110.0210	2.442	2	108.6370	6.967	3	108.8958	2.924	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:N[5,5]-3:C[5]-3:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	105.8690	0.000	1	105.8690	0.000	1	108.6370	6.967	3	108.8958	2.924	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|N<3>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5,6a]O)2{1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	107.5725	0.428	2	107.5725	0.183	2	107.5725	0.183	2	108.8958	2.924	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	111.0600	0.000	1	111.0620	0.000	2	111.0620	0.000	2	111.0620	0.000	2	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5,6]-4:N[5,5]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O){1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	111.0640	0.000	1	111.0620	0.000	2	111.0620	0.000	2	111.0620	0.000	2	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,7|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<4>,1|S<2>,1|S<4>,7|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){2|C<4>,4|H<1>}	106.8000	0.000	1	106.8000	0.000	1	106.8000	0.000	1	106.9327	1.793	7	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]CH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	109.4130	0.000	1	109.4130	0.000	1	106.9548	2.148	6	106.9327	1.793	7	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|S<2>,1|S<4>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	106.4632	0.934	5	106.4632	0.872	5	106.9548	2.148	6	106.9327	1.793	7	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	3:4:4:3:	3:4:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]O)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[5]N[5]O){1|C<2>,1|N<3>,1|O<1>,2|C<4>,4|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>}	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	108.0520	0.000	1	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:1:	3:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6,6]-4:N[5,5]-3:N[5,5]-3:H-1:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](C[5,6,6]C[5,6a]C[3x6]C[6,6])(N[5,5]C[5,6a]C[5])(N[5,5]C[5,5]C[5])(H){1|N<2>,1|O<1>,3|C<3>,3|C<4>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	108.1170	0.000	1	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,2|C<4>,5|H<1>,7|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	108.6920	0.000	1	108.6920	0.000	1	108.6920	0.000	1	109.4147	5.217	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){2|C<4>,6|C<3>,6|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	108.3840	0.000	1	108.9605	0.665	2	108.9605	0.665	2	109.4147	5.217	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){3|C<4>,5|H<1>,6|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	109.5370	0.000	1	108.9605	0.665	2	108.9605	0.665	2	109.4147	5.217	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<3>,2|C<4>,6|H<1>}	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	112.7485	0.436	2	112.7485	0.190	2	110.8307	5.451	4	109.4147	5.217	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{3|C<4>,4|H<1>,5|C<3>}	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	109.7650	0.000	1	109.7650	0.000	1	110.8307	5.451	4	109.4147	5.217	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{2|C<4>,4|H<1>,6|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	108.0610	0.000	1	108.0610	0.000	1	110.8307	5.451	4	109.4147	5.217	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	107.5020	0.000	1	107.5020	0.000	1	109.5035	8.012	2	109.4147	5.217	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:C[5,6a]-3:N[5,5]-3:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5])	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(N[5,5]C[5,5]C[5]){1|N<2>,1|N<3>,1|S<2>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	111.5050	0.000	1	111.5050	0.000	1	109.5035	8.012	2	109.4147	5.217	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:N[5,5]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]O){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	109.5300	1.905	2	109.5300	3.629	2	109.5300	3.629	2	109.4147	5.217	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-3:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5,6a]O)2{1|O<1>,1|O<2>,2|C<3>,3|C<4>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	104.9730	0.000	1	104.9730	0.000	1	104.9730	0.000	1	109.4147	5.217	12	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:4:	4:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:C[5,6a]-3:N[5,5]-3:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5]N[5]HO){3|C<4>,5|H<1>,6|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	110.5710	0.000	1	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:4:1:	3:4:3:3:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C[5]-3:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH){2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5,6a]O)2{2|C<4>,3|H<1>,4|C<3>}	105.4757	0.392	3	105.4757	0.153	3	105.4757	0.153	3	105.4757	0.153	3	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:4:3:	4:3:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O)	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)	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]N[5]O){1|C<3>,2|C<4>,2|N<3>,2|O<1>,4|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>}	108.1520	0.000	1	108.1520	0.000	1	108.1520	0.000	1	108.1520	0.000	1	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,5]	4:4:4:	4:3:4:4:	3:4:2:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H){1|Fe<10>,2|C<3>,3|C<4>,8|H<1>}	C[5,5](C[5,5]C[5,5]C[5]Fe)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)2{1|C<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	108.1560	1.642	2	108.1560	2.696	2	108.1560	2.696	2	108.1560	2.696	2	108.9911	3.890	140	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,6]	4:4:4:	3:3:2:4:	3:4:4:1:	C[5,5]-4:C[5,6]-4:S[5]-4:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3)	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6a]O[5]C)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6]S[5])(O[5]C[5,6])(CF3){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[6]O[5]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,3|C<3>,3|O<1>}	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	105.1840	0.000	1	106.7986	7.302	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,6]	4:4:4:	3:4:3:1:	3:4:4:1:	C[5,5]-4:C[5,6]-4:S[5]-4:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	N[5,5]-3:C[5,6]-4:C[6]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H)	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5,6]C[5,6]C[6]H)(S[5]C[5,6a]OO){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]S[5])(H){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,6](N[5,5]C[5,5]S[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)(H){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	109.3810	0.000	1	109.3810	0.000	1	109.3810	0.000	1	109.3810	0.000	1	106.7986	7.302	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,6]	4:4:4:	3:4:4:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|O<1>,2|C<4>,2|N<3>,3|C<3>,7|H<1>}	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[5,6]HH)(C[5]C[5]HN)(H){2|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	108.9860	0.120	2	108.9860	0.014	2	108.6413	0.364	3	108.6413	0.364	3	106.7986	7.302	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,6]	4:4:4:	3:4:4:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[5,5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	C[5,6]-4:N[5,5]-3:C[6]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H)	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,6]C[6]H)(C[5,5]C[5]2H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,7|H<1>}	C[5,5](N[5,5]C[5,5]C[5,6])(C[5]C[6a]C[5]H)(C[5]C[5,6]HH)(H){2|C<4>,3|H<1>,5|C<3>}	C[5,6](C[5,6]C[5]C[6]H)(N[5,5]C[5,5]2)(C[6]C[6]HH)(H){2|C<3>,3|C<4>,7|H<1>}	107.9520	0.000	1	107.9520	0.000	1	108.6413	0.364	3	108.6413	0.364	3	106.7986	7.302	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,6]	4:4:4:	4:3:3:3:	3:3:3:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-3:C-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-3:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]H)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6])(H){1|O<2>,2|C<4>,4|C<3>,5|H<1>}	102.4280	0.000	1	102.4280	0.000	1	102.4280	0.000	1	102.4280	0.000	1	106.7986	7.302	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5,6]	4:4:4:	4:3:4:3:	3:3:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:C-3:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(COO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H){1|C<4>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,5|C<3>,5|H<1>}	104.6730	0.000	1	104.6730	0.000	1	104.6730	0.000	1	104.6730	0.000	1	106.7986	7.302	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:3:4:1:	3:3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(H){1|C<4>,2|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H){1|C<4>,2|H<1>,4|C<3>}	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.2980	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:3:4:1:	3:4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|O<1>,6|C<3>}	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	110.8460	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:3:4:4:	3:4:4:4:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:B[5]-3:C[5]-4:C-4:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]B[5]C[5]C)(C[5]C[5]CC)	C[5,5](N[5,5]C[5,6a]C[5])(B[5]C[5,6a]N)(C[5]C[5]CC)(CCCH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]B[5]C[5]C)(C[5]C[5]CC){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5,6a]C[5])(B[5]C[5,6a]N)(C[5]C[5]CC)(CCCH){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(CH3)2{1|B<3>,2|C<3>,3|C<4>}	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	112.0310	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:4:2:3:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]C)(C[5]C[5]HH){2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CC)(O[5]C[5])(CCH){2|C<3>,4|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]O[5]HH)(H)2{1|C<4>,3|C<3>}	105.1713	0.785	3	105.1713	0.616	3	105.1713	0.616	3	105.1713	0.616	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:4:3:1:	3:3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6a]-3:C[5]-4:N[5,5]-3:H-1:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH){1|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]C[6a]C)(N[5,5]C[5,6a]C[5])(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(CHHS)(H){1|C<4>,2|H<1>,4|C<3>}	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	108.2400	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:4:3:2:	3:3:1:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[6a]-3:N[5]-2:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5])	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5])(H)2	N[5,5](C[5,6a]C[6a,6a]C[5,6a])(C[5,5]C[6a]C[5]N[5])(C[5]C[5]HH){2|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HH)(C[6a]C[6a]2)(N[5]C[5]){4|H<1>,5|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]N[5])(H)2{1|C<4>,5|C<3>}	106.2720	0.000	1	106.2720	0.000	1	106.2720	0.000	1	106.2720	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:4:4:1:	3:4:4:1:	N[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]CH)	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H)	N[5,5](N[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,6|H<1>}	C[5,5](N[5,5]N[5,6a]C[5])(C[5]C[5,6a]HH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,5]N[5,6a]C[5,5])(C[5]C[5]HH)(CCHO)(H){1|C<4>,2|C<3>,3|H<1>}	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	110.4880	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	3:4:4:4:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(C[5]C[5]HH){1|N<3>,2|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]HN)(C[5]C[5]HH)(CCHH){2|C<3>,4|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	106.6760	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	4:3:2:1:	3:4:3:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5]CH){2|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|S<2>,4|C<3>}	108.3105	1.216	2	108.3105	1.477	2	108.3105	1.477	2	108.3105	1.477	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	4:3:3:1:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	P[5]-4:N[5,5]-3:N[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH)	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]HH)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]N[5]P[5]H)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H){4|C<3>,4|H<1>,6|C<4>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	105.1180	0.000	1	105.1180	0.000	1	105.1180	0.000	1	105.1180	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	3:4:4:	4:3:3:2:	3:4:1:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	N[5,5]-3:C[3,5]-4:H-1:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH)	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[3,5]C[5]O)(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6a]C[5])(C[5]C[5,6a]O)(OH){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	110.2087	0.219	3	110.2087	0.048	3	110.2087	0.048	3	110.2087	0.048	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:2:2:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[6a]-3:N[5,5]-3:O[5]-2:O[5]-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[6a]O[5]2)(C[5]C[6a]N[5])(C[5]C[5]HH)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5])	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2	N[5,5](C[5,5]C[6a]O[5]2)(C[5]C[6a]N[5])(C[5]C[5]HH){2|H<1>,4|C<3>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])(O[5]N[5]){3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(H)2{1|N<2>,1|O<2>,2|C<3>}	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	105.4930	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:2:4:	3:3:4:1:	C[5,5]-4:C[5,6a]-3:C[5]-4:	N[5,5]-3:C[6a]-3:S[5]-2:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[6a]C[5]S[5])(C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H){4|H<1>,7|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[6a]C[6a]2)(S[5]C[5,6a])(C[5]C[5]CH){5|C<3>,5|H<1>}	C[5](N[5,5]C[5,6a]C[5,5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|S<2>,3|H<1>,6|C<3>}	110.3570	0.877	3	110.3570	0.769	3	110.3570	0.769	3	110.3570	0.769	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:3:2:	3:3:3:3:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:O-2:	N[5,5]-3:C[5]-3:C-3:C-3:	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]CC)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(COO)2	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]CC){1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]C)(OH){1|O<1>,2|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(COO)2{1|O<1>,1|O<2>,3|C<3>}	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	111.8920	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:3:2:	3:3:4:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5,5]-3:O[5]-2:	N[5,5]-3:C[5]-3:C-4:H-1:	N[5,5](C[5,5]C[5,6a]C[6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5])	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CCCH)(H)	N[5,5](C[5,5]C[5,6a]C[6a]O[5])(C[5]C[5,6a]O)(C[5]C[5]CH){1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(O[5]C[5]){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]O)(CCCH)(H){1|O<1>,3|C<3>}	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	108.6880	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:C[6a]-3:N[5,5]-3:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(C[5]C[5,6a]O)(C[5]C[5]HH){2|C<4>,2|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH){1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CC)(H)2{1|O<1>,2|H<1>,3|C<3>}	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	111.3870	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:1:	3:3:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(H)2	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH){5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CC)(H){1|O<1>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]C)(H)2{1|H<1>,1|O<1>,4|C<3>}	112.0180	0.000	1	112.0180	0.000	1	112.0180	0.000	1	112.0180	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(H){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|H<1>,3|C<3>}	112.2360	0.000	1	112.2360	0.000	1	112.2360	0.000	1	112.2360	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:2:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(OH){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	112.1410	0.000	1	112.1410	0.000	1	112.6933	0.239	3	111.6655	4.385	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:2:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:O-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]O)(C[5]C[5,6a]O)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CN)(OH){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	112.9695	0.142	2	112.9695	0.020	2	112.6933	0.239	3	111.6655	4.385	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:2:	3:4:1:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5a]-3:N[5,5]-3:C[5]-4:O[5]-2:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5a]C[5]O[5])(C[5]C[6a]N[5])(C[5]C[5]HH)	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5])	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5a]C[5]O[5])(C[5]C[6a]N[5])(C[5]C[5]HH){1|N<2>,1|O<2>,2|C<3>,4|H<1>}	C[5,5](C[5a]N[5a]O[5a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]N[5]){1|N<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<2>,1|O<2>,2|C<3>,2|H<1>}	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	111.6655	4.385	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	3:3:4:3:	3:2:4:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH)	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5,6]O)(C[5]O[5]CH){1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5,6]O)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|H<1>,1|O<1>,3|C<4>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	109.3433	0.203	3	109.3433	0.041	3	109.3433	0.041	3	109.3433	0.041	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	4:3:3:2:	3:4:1:1:	C[5,5]-4:C[5,6]-3:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-3:O-2:	N[5,5]-3:C[3,5]-4:H-1:H-1:	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH)	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC)	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2	N[5,5](C[5,5]C[3,5]C[5]O)(C[5,6]C[5,6]C[6])(C[5]C[3,5]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5,5](C[3,5]C[3,5]N[3]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]C)(OC){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[3,5]C[3,5]N[3]H)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:3:4:	4:3:4:1:	3:4:4:1:	C[5,5]-4:C[5]-3:C[5]-4:	C[3x5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H)	N[5,5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5,5,6]O)(C[5]C[5]CH){1|O<2>,2|C<4>,5|H<1>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,4|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CC[6a]HH)(H){1|O<1>,2|C<4>,3|H<1>}	112.9290	0.000	1	112.9290	0.000	1	112.9290	0.000	1	112.9290	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:3:2:4:	3:4:4:4:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CCHH)	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	104.5240	0.000	1	104.5240	0.000	1	104.7855	0.137	2	104.7855	0.137	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:3:2:4:	3:4:4:4:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:N[5]-3:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5])	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3)	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2	N[5,5](C[5,5]N[5]O[5]C)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|C<4>,2|H<1>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(O[5]C[5])(CH3){2|H<1>,3|C<4>}	C[5](N[5,5]C[5,5]O[5])(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>,1|N<3>}	105.0470	0.000	1	105.0470	0.000	1	104.7855	0.137	2	104.7855	0.137	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:3:3:1:	3:4:4:4:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:N[5]-3:N[5]-3:H-1:	N[5,5]-3:C[5]-4:C-4:C-4:	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5])	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H)	C[5](N[5,5]C[5,5]O[5])(C[5]N[5]CC)(CH3)2	N[5,5](C[5,5]N[5]2H)(C[5]C[5]CC)(O[5]C[5]){1|Pt<4>,1|H<1>,1|N<3>,2|C<4>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H){1|N<3>,4|C<4>}	C[5](N[5,5]C[5,5]O[5])(C[5]N[5]CC)(CH3)2{1|C<3>,1|N<3>,2|H<1>}	105.4820	0.000	1	105.4820	0.000	1	105.4820	0.000	1	105.4820	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[3,5])	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[3,5]){2|O<2>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[3,5]CH)(C[5]C[5]HO)(H){1|O<2>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,2|H<1>}	106.4740	0.525	2	106.4740	0.275	2	106.2572	0.449	4	106.2572	0.449	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|C<3>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]CH)(C[5]C[5]HO)(H){1|C<4>,1|N<2>,4|H<1>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,2|H<1>}	106.7050	0.000	1	106.7050	0.000	1	106.2572	0.449	4	106.2572	0.449	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:O[5]-2:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5])	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(O[5]C[5]){1|S<4>,7|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){1|S<4>,5|H<1>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	105.3760	0.000	1	105.3760	0.000	1	106.2572	0.449	4	106.2572	0.449	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:O[5]-2:	C[4,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]HH)(O[5]C[4,5])	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[5]HH)(O[5]C[4,5]){1|Cl<1>,1|C<3>,2|C<4>,4|H<1>}	C[5,5](C[4,5]C[4,5]C[4,6]C)(N[5,5]C[5]O[5])(C[5]C[5]HH)(H){1|Cl<1>,2|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]O[5])(C[5]C[5]HH)(H)2{2|C<4>,3|H<1>}	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	106.6820	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	4:4:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:O[5]-2:	C[4,5]-4:C[5]-4:N[5,5]-3:H-1:	C[4,5]-4:N[5,5]-3:C-4:H-1:	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[4,5]CH)(O[5]C[5,6])	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H)	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H)	N[5,5](C[5,5]C[4,5]C[5]H)(C[5]C[4,5]CH)(O[5]C[5,6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5,5](C[4,5]C[4,5]N[4]H)(C[5]C[5,6]C[6a]H)(N[5,5]C[5]O[5])(H){2|C<4>,2|H<1>,5|C<3>}	C[5](C[4,5]C[4,5]C[4]H)(N[5,5]C[5,5]O[5])(CSeHH)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	108.4615	0.057	2	108.4615	0.003	2	108.4615	0.003	2	108.0137	0.603	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:2:	4:4:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:O[5]-2:	C[5,5]-4:C[5,5]-4:N[5,5]-3:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	N[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]CH)(O[5]C[5])	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2N[5])(N[5,5]C[5]O[5])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H)	N[5,5](C[5,5]C[5,5]2H)(C[5]C[5,5]CH)(O[5]C[5]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,2|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(C[5,5]C[5]2N[5])(N[5,5]C[5]O[5])(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]O[5])(CHHO)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	107.1180	0.000	1	107.1180	0.000	1	107.1180	0.000	1	108.0137	0.603	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:2:	3:3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[6a]-3:N[5,5]-3:C[5]-4:O[5]-2:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[6a]C[5]O[5])(C[5]C[6a]C[5]H)(C[5]C[5]O){1|N<2>,3|C<3>,6|H<1>}	C[5,5](C[6a]C[6a]N[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5]){1|O<1>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]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>}	111.1695	1.091	2	111.1695	1.190	2	111.1695	1.190	2	111.1695	1.190	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]CH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,2|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.6390	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:3:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-3:	C[5,6a]-3:N[5,5]-3:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]HH)(C[5]C[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(CNO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]C)(C[5]C[5,6a]HH)(C[5]C[5]O){2|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]HH)(CNO){1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>,4|C<3>}	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	112.9560	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-3:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:S[5]-3:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]O)(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|C<3>,1|O<1>,3|H<1>}	C[5,5](C[5]C[6a]C[5])(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]O)(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	115.8120	0.000	1	115.8120	0.000	1	115.8120	0.000	1	115.8120	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[6a]C[6a,6a]C[6a])(N[5,5]C[5]2)(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,1|O<1>,3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	112.7580	0.000	1	112.7580	0.000	1	111.1823	6.431	3	111.1823	6.431	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]N){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	112.5320	0.000	1	112.5320	0.000	1	111.1823	6.431	3	111.1823	6.431	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[6a]-3:N[5,5]-3:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.2570	0.000	1	108.2570	0.000	1	111.1823	6.431	3	111.1823	6.431	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:2:4:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]CH)(COO)(H)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CH)(C[5]O[5]O){1|H<1>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]CH)(COO)(H){1|O<1>,1|O<2>,2|C<4>}	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	111.0920	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:2:4:	3:4:4:3:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-4:C-3:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)(COO)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CCHH)(COO){1|O<1>,1|O<2>,2|C<4>}	108.9100	0.000	1	108.9100	0.000	1	109.9195	2.038	2	109.9195	2.038	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:2:4:	3:4:4:3:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-4:C-3:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)(COO)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]CC)(C[5]O[5]O){1|C<4>,1|O<2>,2|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]O[5]HH)(CH3)(COO){1|O<1>,1|O<2>,2|C<4>}	110.9290	0.000	1	110.9290	0.000	1	109.9195	2.038	2	109.9195	2.038	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:1:	3:2:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5]-3:O[5]-2:C-4:C-4:	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2	N[5,5](C[5,5]C[5]2H)(C[5]O[5]CC)(C[5]C[5]O){4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]HH)(C[5]C[5]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CH3)2{1|O<1>,2|C<3>,3|H<1>}	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:C-3:	N[5,5]-3:S[5]-3:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]O)(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|O<1>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(C[5]C[5]O)(COO){1|C<4>,2|H<1>,2|O<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]O)(CC3)(H){1|O<1>,2|H<1>,3|C<3>}	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){2|Cl<1>,1|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){2|Cl<1>,1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	112.9860	0.000	2	112.9860	0.000	2	112.1825	4.580	4	112.1825	4.580	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,2|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	109.0170	0.000	1	111.3790	11.158	2	112.1825	4.580	4	112.1825	4.580	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){3|O<2>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){1|O<1>,2|O<2>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<1>,2|C<4>,3|H<1>}	113.7410	0.000	1	111.3790	11.158	2	112.1825	4.580	4	112.1825	4.580	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|I<1>,1|N<3>,6|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HI)(H){1|C<3>,1|N<3>,1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	111.0615	0.988	2	111.0615	0.976	2	111.6040	1.371	3	111.6040	1.371	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]O){1|N<3>,7|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|O<1>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|O<1>,2|C<4>,3|H<1>}	112.6890	0.000	1	112.6890	0.000	1	111.6040	1.371	3	111.6040	1.371	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.4900	0.027	2	111.5332	0.068	6	111.5332	0.068	6	113.6893	10.536	9	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|O<2>,2|H<1>,3|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CO)(C[5]O[5]CH)(COO){1|O<1>,2|C<4>,2|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.5547	0.334	4	111.5332	0.068	6	111.5332	0.068	6	113.6893	10.536	9	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	3:4:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	N[5,5]-3:S[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]S[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|O<2>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]S[5]HH)(COO){1|C<4>,1|O<1>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.0017	0.364	3	118.0017	0.133	3	118.0017	0.133	3	113.6893	10.536	9	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:2:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)(C[5]C[5]H)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(S[5]C[5])(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5]CH)(C[5]C[5]H){2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(S[5]C[5])(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(CC[6a]O)(H){1|S<2>,2|H<1>,3|C<3>}	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	107.3990	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:3:2:	4:3:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	C[5,6]-4:N[5,5]-3:C-4:C-4:	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]H)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC)	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OC){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2{1|C<4>,1|O<2>,3|H<1>,4|C<3>}	113.3060	0.000	1	113.3060	0.000	1	112.3095	1.986	2	112.3095	1.986	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:3:2:	4:3:4:4:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,6]-4:N[5,5]-3:C[5]-3:O-2:	C[5,6]-4:N[5,5]-3:C-4:C-4:	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]O)	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OH)	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2	N[5,5](C[5,5]C[5,6]C[5]O)(C[5]C[5,6]CC)(C[5]C[5]O){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5](C[5,6]C[5,6]2C)(N[5,5]C[5]2)(C[5]C[5]O)(OH){1|O<1>,1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(CH3)2{1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	111.3130	0.000	1	111.3130	0.000	1	112.3095	1.986	2	112.3095	1.986	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,7|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,2|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	113.0030	0.443	2	113.0030	0.196	2	113.1027	0.128	3	113.1027	0.128	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){1|C<3>,1|C<4>,2|O<2>,4|H<1>}	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<1>,2|C<4>,3|H<1>}	113.3020	0.000	1	113.3020	0.000	1	113.1027	0.128	3	113.1027	0.128	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]O)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]O){2|O<2>,6|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CSiHH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	108.9340	0.000	1	108.9340	0.000	1	109.0007	0.010	3	108.3367	1.770	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]O[5]O)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]O[5]O){1|C<4>,2|O<2>,3|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	109.0340	0.115	2	109.0340	0.013	2	109.0007	0.010	3	108.3367	1.770	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5,5]-4:C[5]-4:N[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(N[5]C[5]H){2|C<3>,2|O<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]N[5])(C[5]C[5]CH)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]N[5])(CHHI)(H){1|O<2>,3|C<4>,3|H<1>}	106.3450	0.000	1	106.3450	0.000	1	106.3450	0.000	1	108.3367	1.770	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,1|C<4>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]CH)(COO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	110.6970	0.000	1	110.6970	0.000	1	110.6845	0.000	2	110.6845	0.000	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:3:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]O[5]CH)(C[5]C[5]O){1|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]O[5]HH)(COO){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.6720	0.000	1	110.6720	0.000	1	110.6845	0.000	2	110.6845	0.000	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:3:	4:3:4:3:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5]-4:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:S[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(COO)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]S[5]CH)(C[5]C[5]O){1|C<3>,2|O<1>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(COO){1|C<4>,2|C<3>,3|H<1>,3|O<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5]OO)(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	119.3840	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:2:4:	3:4:4:1:	C[5,5]-4:S[5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5,6a]O[5]C)(S[5]C[5,6a]OO)(C[5]C[5]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3)	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H)	N[5,5](C[5,5]C[5,6a]O[5]C)(S[5]C[5,6a]OO)(C[5]C[5]CH){2|C<3>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(O[5]C[5])(CF3){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]S[5])(C[5]O[5]HH)(CH3)(H){1|C<4>,2|C<3>,2|O<1>}	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:3:	3:3:1:1:	C[5,5]-4:S[5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[6a]-3:C[5]-3:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]H)(H)2	N[5,5](C[5,5]C[5,6a]C[6a]C[5])(S[5]C[5,6a]OO)(C[5]C[5]HH){1|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[6a]C[6a]2)(C[5]C[5]C){2|O<1>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]H)(H)2{2|O<1>,4|C<3>}	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	110.7670	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:3:4:	3:4:1:1:	C[5,5]-4:S[5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-3:C-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH){1|C<4>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]C)(CCCH){1|C<4>,2|C<3>,2|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CH)(H)2{1|C<4>,2|O<1>,3|C<3>}	109.8880	0.564	2	109.8880	0.318	2	109.8880	0.318	2	109.8880	0.318	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6,6]N[5,5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]N[5,5]O)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,4|H<1>}	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	108.0190	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:3:4:4:	3:3:1:1:	C[5,5]-4:S[5]-4:C[5]-4:	C[5,6a]-3:N[5,5]-3:C[5]-4:C-4:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]C)(H)2	N[5,5](C[5,5]C[5,6a]C[5]C)(S[5]C[5,6a]OO)(C[5]C[5]HH){1|C<2>,1|H<1>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]C[5]CH)(CH3){2|O<1>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]C)(H)2{1|C<2>,1|C<4>,1|H<1>,2|C<3>,2|O<1>}	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	111.2970	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:2:1:	3:3:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H){1|Fe<10>,2|C<3>,3|C<4>,8|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(H){1|C<3>,2|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]HH)(H){2|C<3>,3|H<1>,4|C<4>}	105.3790	0.755	2	105.3790	0.570	2	105.3790	0.570	2	105.3790	0.570	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:2:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){1|O<2>,3|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5,5])(H){1|O<2>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	105.7830	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:2:4:	3:3:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	109.1995	0.090	2	109.1995	0.008	2	108.8800	0.142	4	108.8800	0.142	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:2:4:	3:3:3:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5]-3:C[6a]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H)	N[5,5](C[5,5]C[5]O[5]2)(C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(O[5]C[5])(CF3){1|C<3>,1|O<1>,2|O<2>,3|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(C[5]O[5]O)(H){2|C<3>,2|H<1>,2|O<2>,3|C<4>}	108.5605	0.097	2	108.5605	0.009	2	108.8800	0.142	4	108.8800	0.142	4	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]S[5]HH)(C[5]C[5]C)(H){2|H<1>,3|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{3|H<1>,4|C<3>}	110.8950	0.000	1	110.8950	0.000	1	110.8950	0.000	1	110.8950	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,1|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H){7|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]H)(H)2{3|C<4>,3|H<1>}	108.0485	1.375	2	108.0485	1.892	2	108.0485	1.892	2	108.0485	1.892	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]C)(H){3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{3|H<1>,4|C<3>}	108.6065	0.695	2	108.6065	0.483	2	108.2675	0.537	4	107.2986	2.091	8	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]H)(H){3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{3|H<1>,4|C<3>}	107.9285	0.817	2	107.9285	0.667	2	108.2675	0.537	4	107.2986	2.091	8	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5]H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|C<2>,6|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[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	106.0960	0.000	1	106.0960	0.000	1	106.0960	0.000	1	107.2986	2.091	8	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CC)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|O<1>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	104.5090	0.000	1	104.5090	0.000	1	104.5090	0.000	1	107.2986	2.091	8	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(C[5]C[5]HH){1|C<4>,2|C<3>,4|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[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	107.4930	0.000	1	107.4930	0.000	1	107.3570	0.037	2	107.2986	2.091	8	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,2|C<2>,4|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[5](N[5,5]C[5,5]C[5])(C[5]N[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	107.2210	0.000	1	107.2210	0.000	1	107.3570	0.037	2	107.2986	2.091	8	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:3:4:	3:2:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-3:C-4:	N[5,5]-3:O[5]-2:C-4:H-1:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CN[5]CH)	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH){1|O<1>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CN[5]CH){1|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(O[5]C[5])(CC3)(H){1|O<1>,2|H<1>,3|C<4>}	106.0370	0.000	1	106.0370	0.000	1	106.0370	0.000	1	106.0370	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,7|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){2|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{3|C<4>,4|H<1>}	108.6950	0.000	1	108.6950	0.000	1	110.7811	1.993	9	110.4348	2.971	10	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HN)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	109.6690	0.000	1	109.6690	0.000	1	110.7811	1.993	9	110.4348	2.971	10	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|N<2>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	111.8080	0.000	1	110.8520	3.730	3	110.7811	1.993	9	110.4348	2.971	10	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,4|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){3|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	110.3740	2.468	2	110.8520	3.730	3	110.7811	1.993	9	110.4348	2.971	10	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|O<1>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]S[5]HH)(H){3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	111.2680	0.000	1	111.2680	0.000	1	110.7811	1.993	9	110.4348	2.971	10	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<2>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	111.0300	0.000	1	111.6140	0.282	3	110.7811	1.993	9	110.4348	2.971	10	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	111.9060	0.231	2	111.6140	0.282	3	110.7811	1.993	9	110.4348	2.971	10	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:2:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	107.3180	0.000	1	107.3180	0.000	1	107.3180	0.000	1	110.4348	2.971	10	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:3:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-3:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]H)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]H)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	108.9980	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:3:2:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	109.5814	0.976	5	109.7693	0.975	6	110.2790	2.631	7	110.2790	2.631	7	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:3:2:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]HH)(C[5]S[5]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<3>,3|C<4>,6|H<1>}	110.7090	0.000	1	109.7693	0.975	6	110.2790	2.631	7	110.2790	2.631	7	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:3:2:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|O<1>,2|C<2>,3|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[4]C[5]H)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,2|C<2>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){1|Cl<1>,2|C<4>,4|C<3>,4|H<1>}	113.3370	0.000	1	113.3370	0.000	1	110.2790	2.631	7	110.2790	2.631	7	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<2>,1|C<4>,1|O<1>,2|C<3>,2|O<2>,6|H<1>}	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){1|C<2>,1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	108.1760	0.000	1	106.2447	2.995	3	106.3252	2.022	4	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	105.2790	0.628	2	106.2447	2.995	3	106.3252	2.022	4	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,6a]C[5,5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,2|O<2>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[3x5]C[5])(C[5]C[5,5]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	106.5670	0.000	1	106.5670	0.000	1	106.3252	2.022	4	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<2>,1|O<1>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.1480	0.000	1	108.5845	0.635	2	108.1390	0.913	3	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]2S[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.0210	0.000	1	108.5845	0.635	2	108.1390	0.913	3	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,5]C[5]3)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,4|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.2480	0.000	1	107.2480	0.000	1	108.1390	0.913	3	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,6]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5,6]C[5,6]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	105.4220	0.000	1	105.4220	0.000	1	105.4220	0.000	1	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|Fe<10>,2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.9540	0.000	1	107.9540	0.000	1	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.1910	0.000	1	106.1910	0.000	1	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.5290	0.000	1	107.5290	0.000	1	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	104.9030	0.000	1	104.9030	0.000	1	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.5190	0.411	3	109.3117	0.150	6	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<3>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5,5]CH)(C[5]C[5]HH)(H){4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.1043	0.280	3	109.3117	0.150	6	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.7300	2.721	2	107.7300	7.404	2	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2H)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.4030	0.000	1	106.4030	0.000	1	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.3780	0.000	1	108.3780	0.000	1	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<2>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.5850	0.000	1	108.5850	0.000	1	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,2|N<3>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.0305	0.711	4	108.0305	0.506	4	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5a]C[5]H)(C[5]C[5]HH)(H){1|S<2>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.5615	0.890	2	109.5615	0.793	2	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.3535	0.808	2	107.9185	4.025	11	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.4499	2.170	8	107.9185	4.025	11	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,5|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.7970	0.000	1	107.9185	4.025	11	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]2C)(C[5]C[5]HH)(H){1|O<2>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.9980	0.000	1	107.9980	0.000	1	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|N<3>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(C[5]C[5]HN)(H){3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.0400	0.021	2	107.0400	0.000	2	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){1|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.4800	0.000	1	109.4800	0.000	1	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5,5]C[5]3)(C[5]C[5]HH){2|O<1>,4|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.3255	3.181	2	107.3255	10.121	2	108.0482	2.628	38	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	107.6430	0.000	1	107.6430	0.000	1	107.3940	0.124	2	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|O<2>,7|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	107.1450	0.000	1	107.1450	0.000	1	107.3940	0.124	2	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:P[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]CO)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]CO){1|C<3>,6|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|N<3>,1|O<1>,2|C<4>,3|H<1>}	110.6830	0.000	1	110.6830	0.000	1	110.2155	0.437	2	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:P[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]NN)	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(P[5]N[5]NN){1|C<3>,6|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<2>,2|N<3>,3|H<1>}	109.7480	0.000	1	109.7480	0.000	1	110.2155	0.437	2	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:S[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO)	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO){1|C<3>,6|H<1>}	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|C<3>,2|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	105.4790	0.000	1	105.4790	0.000	1	105.4790	0.000	1	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	107.6130	0.000	1	107.6130	0.000	1	107.6130	0.000	1	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	108.4200	0.000	1	108.4200	0.000	1	108.4200	0.000	1	107.8812	2.696	53	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH){1|C<4>,3|C<3>,6|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,4|H<1>}	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	107.7220	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:2:1:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]S[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(S[5]C[5])(H){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]S[5]HH)(H)2{1|C<3>,1|H<1>,3|C<4>}	112.2245	0.255	2	112.2245	0.065	2	112.2245	0.065	2	112.2245	0.065	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]N[5]H)(C[5]C[5]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[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5,5]N[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,6|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[5](N[5,5]C[5,5]2)(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,4|C<4>}	107.1820	0.000	1	107.1820	0.000	1	107.1820	0.000	1	107.2953	1.537	6	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	106.2930	1.345	2	106.2930	1.809	2	107.4240	2.481	4	107.2953	1.537	6	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5]3)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5]3)(N[5,5]C[5]2)(C[5]C[5]C)(H){2|O<1>,4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	108.5550	0.720	2	108.5550	0.518	2	107.4240	2.481	4	107.2953	1.537	6	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-3:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H){3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,2|H<1>}	106.8940	0.000	1	106.8940	0.000	1	106.8940	0.000	1	107.2953	1.537	6	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5]2)(C[5]C[5]C)(H){1|N<3>,1|O<1>,4|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	107.8590	1.127	2	107.8590	1.270	2	107.8590	1.270	2	107.8590	1.270	2	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:3:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-3:C-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]H)(COO)	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]H)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	105.7620	0.000	1	105.7620	0.000	1	105.7620	0.000	1	105.7620	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[3x5]C[5,5])(S[5]C[5])(H)2	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<2>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]S[5]HH)(H){2|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5]C[3x5]C[5,5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	110.7690	0.000	1	110.7690	0.000	1	110.7690	0.000	1	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	109.8830	0.000	1	109.8830	0.000	1	110.0506	0.110	5	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	110.0925	0.636	2	110.0925	0.404	2	110.0506	0.110	5	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	110.0710	0.000	1	110.0925	0.001	2	110.0506	0.110	5	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5,6]C[5]H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	110.1140	0.000	1	110.0925	0.001	2	110.0506	0.110	5	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]2)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	113.8990	0.245	5	113.8990	0.060	5	111.4723	2.812	21	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	111.0425	0.289	2	111.9133	1.087	4	111.4723	2.812	21	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	112.5160	0.000	1	111.9133	1.087	4	111.4723	2.812	21	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|N<2>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|N<2>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	113.0520	0.000	1	111.9133	1.087	4	111.4723	2.812	21	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	109.1700	0.000	1	109.1700	0.000	1	111.4723	2.812	21	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	109.6943	0.638	3	110.4183	0.501	11	111.4723	2.812	21	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(S[5]C[5])(H)2{2|C<3>,2|C<4>,3|H<1>}	110.6898	0.539	8	110.4183	0.501	11	111.4723	2.812	21	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]S[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]S[5]HH){2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	109.7023	0.722	3	109.7023	0.522	3	109.7023	0.522	3	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH)	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH){4|C<3>,4|H<1>}	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	108.0240	0.853	2	108.0240	0.727	2	108.0240	0.727	2	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CC)(C[5]S[5]HH)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CC)(C[5]S[5]HH){3|C<3>,3|H<1>}	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,3|C<4>,3|H<1>}	108.6260	0.000	1	108.6260	0.000	1	108.6260	0.000	1	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:2:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]C[5,6])(S[5]C[5])(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5,6])(S[5]C[5])(H)2{1|C<3>,2|C<4>,4|H<1>}	108.6420	0.000	1	108.6420	0.000	1	108.6420	0.000	1	110.7166	2.998	34	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:3:2:1:	C[5,5]-4:C[5]-4:C[5,5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[6a]-3:S[5]-2:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]S[5]H)(C[5,5]C[5]2H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]S[5]HH)(H){1|C<4>,1|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[6a]C[6a]2)(S[5]C[5])(H){2|C<4>,4|C<3>,5|H<1>}	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	114.2350	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	109.5660	0.000	1	105.6845	6.911	4	106.4474	8.093	5	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,1|O<2>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	104.3907	0.568	3	105.6845	6.911	4	106.4474	8.093	5	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[3x5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2	N[5,5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,5,6]C[6a]H)(N[5,5]C[3x5]C[5])(C[5]C[5]HH)(H){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[3x5]C[5,5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	109.4990	0.000	1	109.4990	0.000	1	106.4474	8.093	5	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<4>,2|O<1>,3|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[3]C)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.6300	0.000	1	108.6300	0.000	1	109.9682	2.699	8	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,2|O<1>,5|H<1>}	C[5,5](C[3,5]C[3,5]C[3]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	111.7770	0.092	2	111.7770	0.008	2	109.9682	2.699	8	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[3,5]C[5]2)(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.5970	0.000	1	109.5970	0.000	1	109.9682	2.699	8	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[3,5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,4|H<1>,5|C<3>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.8990	0.000	1	106.8990	0.000	1	109.9682	2.699	8	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){5|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.6000	0.429	2	110.3553	0.271	3	109.9682	2.699	8	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[3,5]C[5])(C[5,5]C[3,5]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<2>,4|C<3>,5|H<1>}	C[5,5](C[3,5]C[3,5]C[6a]C[3])(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	109.8660	0.000	1	110.3553	0.271	3	109.9682	2.699	8	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,5]C[5]3)(C[5]C[5]HH){2|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.2017	0.255	3	107.2017	0.065	3	106.9478	0.301	4	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5,5]C[5]H)(C[5]C[5]HH){1|O<1>,5|H<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.1860	0.000	1	106.1860	0.000	1	106.9478	0.301	4	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6]C[5]2)(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,2|O<1>,3|C<3>,6|H<1>}	C[5,5](C[5,6]C[5,6]C[6]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	105.3750	0.000	1	105.3750	0.000	1	106.5180	2.613	2	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5,6])(C[5,5]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,1|O<2>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.6610	0.000	1	107.6610	0.000	1	106.5180	2.613	2	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]2C[5,5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<2>,5|H<1>,6|C<3>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.8970	0.000	1	109.8970	0.000	1	107.6437	2.294	12	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.9500	1.344	3	107.5923	2.275	6	107.6437	2.294	12	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|S<2>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.1550	0.000	2	107.5923	2.275	6	107.6437	2.294	12	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,5]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){4|H<1>,6|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	109.3940	0.000	1	107.5923	2.275	6	107.6437	2.294	12	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.4740	0.000	1	107.4330	2.167	2	107.6437	2.294	12	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[5a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.3920	0.000	1	107.4330	2.167	2	107.6437	2.294	12	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,6a]C[5,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.1357	1.694	3	107.1357	2.870	3	107.6437	2.294	12	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	107.5210	1.900	3	107.5210	3.610	3	105.9983	4.824	7	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	107.4830	0.000	1	107.4830	0.000	1	105.9983	4.824	7	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	104.3420	0.000	1	103.9807	0.175	3	105.9983	4.824	7	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	103.8000	0.393	2	103.9807	0.175	3	105.9983	4.824	7	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO)	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CC)(H)2	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]S[5])(C[5]C[5]HH)(H){2|C<4>,2|H<1>,2|O<1>,3|C<3>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[5]CC)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	105.1020	0.000	1	105.1020	0.000	1	105.1020	0.000	1	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH)	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5,5]C[5]H)(P[5]N[5,5]NO)(C[5]C[5]HH){2|C<4>,5|H<1>}	C[5,5](C[5,5]N[5,5]C[5]H)(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<4>,6|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,2|N<3>,3|H<1>}	112.3267	2.340	3	112.3267	5.476	3	112.3267	5.476	3	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(P[5]O[5]CuN)(C[5]C[5]HH)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(P[5]O[5]CuN)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Cu<3>,1|N<3>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Cu<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	107.9570	1.858	2	107.9570	3.453	2	108.5358	2.195	18	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(P[5]O[5]NiO)(C[5]C[5]HH)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(P[5]O[5]NiO)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Ni<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Ni<4>,1|C<4>,2|O<2>,3|H<1>}	109.0700	0.000	1	109.0700	0.000	1	108.5358	2.195	18	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdC)(C[5]C[5]HH)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdC)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|O<2>,2|C<4>,3|H<1>}	108.7717	1.012	6	108.7717	1.025	6	108.5358	2.195	18	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5]-4:P[5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdO)(C[5]C[5]HH)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](C[5,5]C[5]2H)(P[5]O[5]PdO)(C[5]C[5]HH){2|C<3>,4|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<4>,2|O<2>,3|H<1>}	108.4479	1.850	9	108.4479	3.422	9	108.5358	2.195	18	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	108.6070	0.336	3	107.4437	5.488	4	107.4437	5.488	4	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|S<4>,3|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|S<4>,3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	103.9540	0.000	1	107.4437	5.488	4	107.4437	5.488	4	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	106.3850	0.000	1	106.3850	0.000	1	106.6325	0.123	2	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	106.8800	0.000	1	106.8800	0.000	1	106.6325	0.123	2	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	P[5]-4:C[5,5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5](P[5]C[6a]O[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	N[5,5](P[5]C[6a]O[5]Pd)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]P[5])(C[5]C[5]HH)(H){1|Pd<4>,4|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Pd<4>,1|C<3>,1|C<4>,1|O<2>,3|H<1>}	109.1280	0.823	4	109.1280	0.678	4	109.1280	0.678	4	108.0257	4.885	70	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH)	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH){3|O<2>,4|H<1>}	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	106.5470	0.000	1	106.5470	0.000	1	106.5470	0.000	1	107.1280	1.125	6	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH){4|H<1>,4|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,3|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	106.0840	0.000	1	106.0840	0.000	1	106.0840	0.000	1	107.1280	1.125	6	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H)	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2{2|S<2>,3|H<1>,3|O<2>}	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,4|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5,6]HO)(CH3)(H){2|H<1>,2|S<2>,3|C<4>}	108.3315	0.043	2	108.3315	0.002	2	107.5343	1.179	4	107.1280	1.125	6	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5]CH)2{2|S<2>,3|H<1>,3|O<2>}	C[5,5](C[5,6]C[5]S[6]2)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,4|C<4>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	106.7370	0.997	2	106.7370	0.994	2	107.5343	1.179	4	107.1280	1.125	6	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[3,5]-4:N[5,5]-3:C[5]-4:H-1:	C[3,5]-4:N[5,5]-3:H-1:H-1:	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH)	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2	N[5,5](C[5,5]C[3,5]C[5]H)(C[5]C[3,5]HH)(C[5]C[5]CH){3|O<2>,4|H<1>}	C[5,5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[5,5]C[5,5]C[5])(H)2{3|C<4>,3|H<1>}	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	106.7250	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH)	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]CH){4|H<1>,4|O<2>}	C[5,5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5]2)(C[5]C[5]HO)(H){2|O<2>,3|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,5]C[5,5]C[5])(CH3)(H){1|O<2>,3|H<1>,4|C<4>}	107.2750	0.000	1	107.2750	0.000	1	107.2750	0.000	1	107.2750	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:3:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	C[5,5]-4:N[5,5]-3:C-4:C-3:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]C[5]HH)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	108.2440	2.281	3	108.2440	5.204	3	108.2440	5.204	3	108.2440	5.204	3	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,5]	C[5]	4:4:4:	4:3:4:3:	3:4:3:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[5]-4:C-3:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(COO)	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5,5]C[5]C)(C[5]C[5,5]C[6a]H){1|C<4>,4|H<1>,7|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(COO){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	107.3860	0.000	1	109.0647	6.914	312	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:3:4:	3:3:4:1:	3:4:4:1:	C[5,6]-4:C[5,6a]-3:C[5,5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H)	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2H){1|C<4>,5|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,6a]C[5,5])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,5|H<1>}	C[5,5](N[5,5]C[5,6a]C[5,6])(C[5]C[5,6a]HH)(C[5]C[5,6]CH)(H){1|C<4>,2|H<1>,3|C<3>}	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	110.7600	0.000	1	108.1959	1.933	10	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:4:2:	3:4:4:3:	3:4:3:1:	C[5,6]-4:C[5,5]-4:O[5]-2:	N[5,5]-3:C[6]-4:C[6]-4:N[5]-3:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,6]C[6]2N[5])(C[5,5]C[5]2H)(O[5]C[5])	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[5,5](N[5,5]C[5,6]O[5])(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5,5](C[5,6]C[6]2N[5])(C[5,5]C[5]2H)(O[5]C[5]){1|O<1>,5|C<4>,6|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[5,5](N[5,5]C[5,6]O[5])(C[5]C[5]HH)(C[5]N[5]O)(H){1|H<1>,4|C<4>}	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	107.2090	0.000	1	108.1959	1.933	10	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:4:2:	3:4:4:3:	4:3:3:1:	C[5,5]-4:C[5,6]-4:O[5]-2:	N[5,5]-3:C[6]-4:C[6]-4:N[5]-3:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2N[5])(O[5]C[5,5])	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[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]O[5])(C[5]N[5]O)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5,6]C[6]2N[5])(O[5]C[5,5]){1|O<1>,5|H<1>,6|C<4>}	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[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6]O[5])(C[5]N[5]O)(H){1|O<2>,3|H<1>,4|C<4>}	106.1050	0.000	1	106.1050	0.000	1	106.1050	0.000	1	106.1050	0.000	1	108.1959	1.933	10	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]CH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,3|C<3>,3|C<4>,6|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	107.4730	0.000	1	107.4730	0.000	1	107.8260	0.249	2	107.8260	0.249	2	108.1959	1.933	10	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>,7|H<1>}	C[5,5](N[5,5]C[5,6]C[5])(C[5]C[5,6]CH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,6|H<1>}	108.1790	0.000	1	108.1790	0.000	1	107.8260	0.249	2	107.8260	0.249	2	108.1959	1.933	10	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:4:4:	3:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|N<3>,2|C<4>,3|C<3>,7|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	109.2180	0.000	1	109.2180	0.000	1	108.4466	1.160	5	108.4466	1.160	5	108.1959	1.933	10	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:4:4:	3:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|S<4>,3|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]S[6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,3|O<1>,4|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|S<4>,3|C<3>,6|H<1>}	107.1280	0.000	1	107.1280	0.000	1	108.4466	1.160	5	108.4466	1.160	5	108.1959	1.933	10	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:4:4:	3:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	109.1470	0.774	2	109.1470	0.598	2	108.4466	1.160	5	108.4466	1.160	5	108.1959	1.933	10	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5,6]	C[5,5]	4:4:4:	3:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,5]-4:C[5]-4:	C[6,6a]-3:N[5,5]-3:C[5,6]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H)	N[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]C)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,6|H<1>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5,5]C[5,6]C[5])(C[5]S[5]HH)(H){1|C<4>,3|H<1>,4|C<3>}	107.5930	0.000	1	107.5930	0.000	1	108.4466	1.160	5	108.4466	1.160	5	108.1959	1.933	10	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[3x5]	4:4:4:	3:4:1:1:	3:3:3:1:	C[3x5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:N[5,5]-3:N[5,5]-3:H-1:	N[5,5](C[3x5]N[5,5]2H)(C[5]C[5]HH)2	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2	C[3x5](N[5,5]C[5]2)3(H)	N[5,5](C[3x5]N[5,5]2H)(C[5]C[5]HH)2{2|C<4>,4|H<1>}	C[5](N[5,5]C[3x5]C[5])(C[5]N[5,5]HH)(H)2{1|N<3>,2|C<4>,3|H<1>}	C[3x5](N[5,5]C[5]2)3(H){12|H<1>}	105.0325	0.786	6	105.0325	0.617	6	105.0325	0.617	6	105.0325	0.617	6	105.0325	0.617	6	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5,6]	4:4:4:	3:4:3:1:	4:4:3:3:	C[5,5,6]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:C-3:	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H)	C[5,5,6](C[5,6]C[5]C[6]H)2(N[5,5]C[5]2)(CNO)	N[5,5](C[5,5,6]C[5,6]2C)(C[5]C[6a]C[5]H)(C[5]C[5]HH){1|C<4>,2|C<2>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[5]C[5,6]CC)(C[6a]C[6a]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,5,6](C[5,6]C[5]C[6]H)2(N[5,5]C[5]2)(CNO){2|C<2>,2|C<3>,8|H<1>}	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	109.6380	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	3:4:1:1:	4:3:4:1:	C[5]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]N[5])(C[5,5]C[5]2H)(C[5]C[5]HH){3|H<1>,5|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<2>,3|H<1>,5|C<3>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){2|H<1>,5|C<3>}	109.3515	0.248	2	109.3515	0.062	2	109.3515	0.062	2	109.3515	0.062	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	3:4:3:1:	3:2:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5]-3:S[5]-2:C[5]-4:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H)	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]S[5]H)(C[5]C[5]CH){3|H<1>,4|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(CC[6a]O)(H){1|S<2>,2|H<1>,5|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	108.4175	0.637	2	108.4175	0.406	2	108.4175	0.406	2	108.4175	0.406	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	3:4:3:1:	3:3:4:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5]-3:N[5]-3:C[5]-4:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H)	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(C[5]C[5]N[5]H){1|Cl<1>,2|H<1>,2|N<2>,5|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5]C[5]HH)(N[5]C[5]2)(H){1|H<1>,1|N<3>,2|C<4>,2|O<1>,4|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(N[5]C[5,6a]C)(C[5]C[5]CC)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	110.5020	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	3:4:3:1:	3:4:3:2:	C[5,6a]-3:C[5]-4:C[5,5]-4:	N[5,5]-3:C[5,5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-3:O-2:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(C[5,5]C[5]2O){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5]2N[5])(C[6a]C[6a]2)(H){1|O<1>,1|O<2>,4|H<1>,8|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,5]C[6a]H)(C[5]C[5,6a]O)(OH){1|H<1>,1|N<3>,6|C<3>}	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	3:4:3:1:	4:3:2:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C-3:H-1:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){1|C<4>,2|H<1>,4|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){1|H<1>,1|O<1>,1|S<2>,2|C<4>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]C)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	106.5490	0.082	2	106.5490	0.007	2	106.4747	0.020	3	106.4747	0.020	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	3:4:3:1:	4:3:2:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5,5]-4:C-3:H-1:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH){3|H<1>,4|C<3>}	C[5](N[5,5]C[5,6a]C[5,5])(C[5,5]C[5,5]C[5]H)(CC[6a]O)(H){1|C<4>,1|O<1>,1|S<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	106.3260	0.000	1	106.3260	0.000	1	106.4747	0.020	3	106.4747	0.020	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	4:3:3:1:	4:3:2:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(CC[6a]O)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|O<2>,3|H<1>,5|C<3>}	110.2805	0.149	2	110.2805	0.022	2	110.7390	0.642	3	110.7390	0.642	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	3:4:4:	4:3:3:1:	4:3:2:1:	C[5,6a]-3:C[5,5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C-3:H-1:	C[5,6]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H)	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H)	N[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6]S[5]H)(C[5]C[5,6]CH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,6a]C[5,5])(COO)(H){1|C<4>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5,5](C[5,6]C[5,6]C[6]N)(N[5,5]C[5,6a]C[5])(S[5]C[5,6a])(H){1|O<2>,3|H<1>,5|C<3>}	111.6560	0.000	1	111.6560	0.000	1	110.7390	0.642	3	110.7390	0.642	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:2:	3:3:4:1:	3:4:4:1:	C[5]-4:C[5,5]-4:O[5]-2:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(O[5]C[5])	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H)	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(O[5]C[5]){4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]O[5])(C[6a]C[6a]2)(C[5]C[5]CC)(H){2|C<3>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]O[5])(C[5]C[5]HH)2(H){3|C<3>,3|H<1>}	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:2:1:	3:4:4:1:	C[5]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]O){1|S<2>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,1|O<1>,1|S<2>,2|H<1>}	110.4990	0.000	1	110.4990	0.000	1	110.4990	0.000	1	110.4990	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:2:4:	3:4:4:1:	C[5]-4:C[5,5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:O[5]-2:C-4:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5]C[6a]O[5]C)(C[5,5]C[5]2H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H)	N[5,5](C[5]C[6a]O[5]C)(C[5,5]C[5]2H)(C[5]C[5]O){1|C<4>,2|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(CH3){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]O[5]HH)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:3:4:1:	3:4:2:4:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[6a]C[5]H)(C[5]C[5]O){2|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]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[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(CCHH){1|C<3>,1|O<1>,5|H<1>}	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	109.9040	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]O){1|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]C)(H){1|O<1>,4|H<1>}	111.5175	0.566	2	111.5175	0.321	2	111.5175	0.321	2	111.5175	0.321	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]C[5]O){4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(C[5]C[5]HH)(H){1|O<1>,3|C<3>,3|H<1>}	112.6800	0.000	1	112.6800	0.000	1	112.1397	1.499	3	112.1397	1.499	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,1|S<4>,2|C<3>,2|H<1>}	110.7380	0.000	1	110.7380	0.000	1	112.1397	1.499	3	112.1397	1.499	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]C)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]O[5]C){6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]HH)(H){1|C<3>,4|H<1>}	113.0010	0.000	1	113.0010	0.000	1	112.1397	1.499	3	112.1397	1.499	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]H)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]H){3|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]N[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	109.6080	0.000	1	109.6080	0.000	1	110.3585	1.127	2	110.3585	1.127	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:1:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]O){1|O<2>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,5](C[5]C[6a]C[5]O)(N[5,5]C[5]2)(C[5]N[5]HH)(H){1|O<1>,3|C<3>,4|H<1>}	111.1090	0.000	1	111.1090	0.000	1	110.3585	1.127	2	110.3585	1.127	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]O[5]O){1|C<4>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]CH)(H){1|C<4>,1|O<1>,3|H<1>}	111.3640	0.000	1	111.3640	0.000	1	111.3640	0.000	1	111.3640	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	3:4:4:3:	3:4:2:4:	C[5,5]-4:C[5]-4:C[5]-3:	N[5,5]-3:C[6]-4:C[5]-4:C-3:	N[5,5]-3:C[5]-4:O[5]-2:C-4:	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C[6]C)(C[5]O[5]O)	C[5](N[5,5]C[5,5]C[5])(C[6]C[6]O[6]H)(C[5]O[5]HH)(COO)	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3)	N[5,5](C[5,5]C[5]O[5]C)(C[5]C[5]C[6]C)(C[5]O[5]O){2|C<4>,2|O<2>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6]C[6]O[6]H)(C[5]O[5]HH)(COO){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<4>}	C[5,5](N[5,5]C[5]2)(C[5]O[5]CO)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	110.9400	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:3:	4:3:3:1:	4:3:2:1:	C[5,5]-4:C[5]-4:C[5]-3:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,5]-4:N[5,5]-3:S[5]-2:H-1:	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)(C[5]C[5]C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(COO)(H)	C[5,5](C[5,5]C[5,5]C[5]S)(N[5,5]C[5]2)(S[5]C[5])(H)	N[5,5](C[5,5]C[5,5]S[5]H)(C[5]C[5,5]CH)(C[5]C[5]C){1|C<3>,1|H<1>,1|S<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(COO)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,1|S<2>,1|S<3>,2|C<4>}	C[5,5](C[5,5]C[5,5]C[5]S)(N[5,5]C[5]2)(S[5]C[5])(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	106.9560	0.000	1	106.9560	0.000	1	106.9560	0.000	1	106.9560	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:2:1:1:	3:4:2:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH){3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	110.0380	0.881	2	110.0380	0.776	2	110.0380	0.776	2	110.0380	0.776	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<2>,3|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|O<2>,4|H<1>,5|C<3>}	106.8070	0.000	1	104.0055	15.697	2	104.0055	15.697	2	104.0055	15.697	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|P<4>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	101.2040	0.000	1	104.0055	15.697	2	104.0055	15.697	2	104.0055	15.697	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:4:1:	3:3:4:1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){1|H<1>,3|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]CH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	111.3760	0.000	1	111.3760	0.000	1	110.9845	0.546	4	110.9845	0.546	4	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:4:1:	3:3:4:1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	111.1630	0.928	2	110.8540	0.717	3	110.9845	0.546	4	110.9845	0.546	4	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:4:1:	3:3:4:1:	C[5,5]-4:C[5]-4:S[5]-4:	C[5,6a]-3:N[5,5]-3:C-4:H-1:	C[5,6a]-3:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H)	N[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(S[5]O[5]OO){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5,5]S[5])(CCHH)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]C[5]S[5])(C[5]O[5]HH)(H){1|C<4>,2|C<3>,2|H<1>,2|O<1>}	110.2360	0.000	1	110.8540	0.717	3	110.9845	0.546	4	110.9845	0.546	4	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:4:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|H<1>}	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>}	108.5500	0.000	1	108.5500	0.000	1	108.5825	0.002	2	108.5825	0.002	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:4:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){3|C<3>,3|C<4>,4|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>}	108.6150	0.000	1	108.6150	0.000	1	108.5825	0.002	2	108.5825	0.002	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,2|C<3>,2|O<2>,3|C<4>,6|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HN)(H){1|C<3>,1|C<4>,6|H<1>}	110.0340	0.000	1	110.0340	0.000	1	108.0035	8.246	2	108.0035	8.246	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]S[5]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]2H)(H){1|N<3>,1|S<2>,2|C<3>,2|C<4>,2|O<2>,6|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HN)(C[5]S[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	105.9730	0.000	1	105.9730	0.000	1	108.0035	8.246	2	108.0035	8.246	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:4:1:	4:3:4:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[6a]-3:C[5]-4:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]C[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){4|C<3>,6|H<1>}	103.3330	0.000	1	103.3330	0.000	1	103.3330	0.000	1	103.3330	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:3:4:4:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:N[5]-3:C-4:C-4:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(C[5]N[5]CC){1|C<3>,1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(N[5]C[6a]C[5])(CH3)2{1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]N[5]O)(H){1|C<3>,2|C<4>,4|H<1>}	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	106.2560	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:2:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	106.5220	0.000	1	106.5220	0.000	1	106.5220	0.000	1	106.4360	0.015	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:2:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H)	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H){3|C<3>,5|H<1>}	106.3500	0.000	1	106.3500	0.000	1	106.3500	0.000	1	106.4360	0.015	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)2{1|C<4>,1|O<2>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)(C[5]C[5]C)(H){7|H<1>}	107.7165	0.330	2	107.7165	0.109	2	107.7165	0.109	2	109.0602	3.046	4	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5,5]-4:P[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:H-1:	N[5,5](C[5,5]C[5]2H)(P[5]O[5]RhN)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]O[5]O)(H)	N[5,5](C[5,5]C[5]2H)(P[5]O[5]RhN)(C[5]C[5]HH){1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|Rh<5>,1|C<3>,1|N<3>,1|O<2>,3|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]O[5]O)(H){1|Rh<5>,1|N<3>,4|H<1>}	110.4040	1.344	2	110.4040	1.805	2	110.4040	1.805	2	109.0602	3.046	4	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:3:4:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-3:C-4:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CN[5]CH)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]HH)(C[5]O[5]CH){1|O<1>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]O[5]O)(CN[5]CH){1|C<4>,5|H<1>}	106.5930	0.000	1	106.5930	0.000	1	106.5930	0.000	1	106.5930	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5,6a]C[5]2)(C[5,5]C[5]2H)(C[5]C[5]HH){1|O<1>,4|C<3>,7|H<1>}	C[5](N[5,5]C[5,5]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)2(H){3|C<3>,5|H<1>}	108.0430	0.000	1	108.0430	0.000	1	108.0430	0.000	1	108.0889	1.667	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){3|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,1|O<2>,6|H<1>}	106.7530	0.056	4	106.7530	0.003	4	107.1564	0.816	5	108.0889	1.667	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>,4|O<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{1|O<2>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,2|O<2>,5|H<1>}	108.7700	0.000	1	108.7700	0.000	1	107.1564	0.816	5	108.0889	1.667	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:4:1:	C[5,5]-4:C[5]-4:S[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO)	C[5](N[5,5]C[5,5]S[5])(C[5]C[6a]2C[5])(H)2	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(S[5]N[5]OO){3|H<1>,4|C<3>}	C[5](N[5,5]C[5,5]S[5])(C[5]C[6a]2C[5])(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[5,5](N[5,5]C[5]S[5])(C[5]C[5]HH)(C[5]N[5]CH)(H){2|H<1>,2|O<1>,3|C<3>}	108.7005	1.914	2	108.7005	3.664	2	108.7005	3.664	2	108.0889	1.667	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:4:1:	P[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](P[5]C[6a]N[5]B)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](P[5]C[6a]N[5]B)(C[5,5]C[5]2H)(C[5]C[5]HH){3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|B<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|B<4>,2|C<3>,4|H<1>}	109.4690	0.000	1	109.4690	0.000	1	109.2507	0.298	3	108.0889	1.667	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:4:1:	P[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](P[5]C[6a]N[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H)	N[5,5](P[5]C[6a]N[5]O)(C[5,5]C[5]2H)(C[5]C[5]HH){3|C<3>,6|H<1>}	C[5](N[5,5]C[5,5]P[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[5,5](N[5,5]C[5]P[5])(C[5]C[5]HH)(C[5]N[5]HH)(H){1|O<1>,2|C<3>,4|H<1>}	109.1415	0.725	2	109.1415	0.525	2	109.2507	0.298	3	108.0889	1.667	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	3:4:4:3:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(COO)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(H)2{2|C<3>,2|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(COO){1|O<2>,2|C<3>,5|H<1>}	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	108.2430	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:1:1:	4:3:4:1:	C[5]-4:C[5,5]-4:C[5]-4:	N[5,5]-3:C[5]-4:H-1:H-1:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5]C[6a]O[5]H)(C[5,5]C[5]2H)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5]C[6a]2O[5])(N[5,5]C[5]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	103.6730	0.000	1	103.6730	0.000	1	103.6730	0.000	1	103.6730	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:2:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5])(H){2|C<3>,6|H<1>}	107.1210	0.000	1	107.1210	0.000	1	106.9880	1.908	3	106.9880	1.908	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:2:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H)	N[5,5](C[5,5]C[5]O[5]H)(C[5]C[6a]C[5]H)(C[5]S[5]HH){3|C<3>,3|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[6a]O[5]H)(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,1|S<2>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]S[5]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	106.9215	1.947	2	106.9215	3.790	2	106.9880	1.908	3	106.9880	1.908	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(COO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,2|C<2>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(COO)(H){1|C<2>,1|C<4>,1|N<3>,4|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>}	109.7630	0.000	1	109.7630	0.000	1	109.5767	0.034	3	109.5767	0.034	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	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>}	109.3940	0.000	1	109.3940	0.000	1	109.5767	0.034	3	109.5767	0.034	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]CH){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(COO)(H){1|C<4>,1|N<3>,2|C<3>,3|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>}	109.5730	0.000	1	109.5730	0.000	1	109.5767	0.034	3	109.5767	0.034	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:4:3:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-3:	N[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(COO)	N[5,5](C[5,5]C[5]2C)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,1|O<2>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCH)(H){1|C<3>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(COO){1|O<2>,2|C<3>,5|H<1>}	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	109.0940	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:3:1:	3:4:4:4:	C[5]-4:C[5]-4:C[5,5]-4:	N[5,5]-3:N[5]-4:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:C[5]-4:C-4:	N[5,5](C[5]C[6a]N[5]H)2(C[5,5]C[5]2C)	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5]2)(C[5]N[5]HH)2(CH3)	N[5,5](C[5]C[6a]N[5]H)2(C[5,5]C[5]2C){1|Cu<5>,2|C<4>,4|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(N[5]C[5]CuC)(C[6a]C[6a]2)(H){1|N<4>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]N[5]HH)2(CH3){1|Cu<5>,2|C<3>,2|C<4>,2|H<1>}	106.6045	0.274	2	106.6045	0.075	2	106.6045	0.075	2	106.6045	0.075	2	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|O<2>,6|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CHHS)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(C[5]C[5]HO)(H){2|C<4>,6|H<1>}	107.5570	0.000	1	107.5570	0.000	1	107.2310	0.702	11	107.2310	0.702	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){1|O<2>,7|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CCHH)(H){2|C<4>,5|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){1|C<4>,1|O<2>,6|H<1>}	107.3860	0.000	1	107.3860	0.000	1	107.2310	0.702	11	107.2310	0.702	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){3|O<2>,5|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,1|O<2>,6|H<1>}	106.5540	0.108	4	107.0382	1.181	5	107.2310	0.702	11	107.2310	0.702	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>,4|O<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){1|C<4>,2|O<2>,5|H<1>}	108.9750	0.000	1	107.0382	1.181	5	107.2310	0.702	11	107.2310	0.702	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2{8|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HH)(CCHH)(H){3|C<4>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)2(H){2|C<4>,6|H<1>}	107.1130	0.269	2	107.1130	0.072	2	107.2310	0.702	11	107.2310	0.702	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2{4|H<1>,4|O<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CH3)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){2|C<4>,2|O<2>,4|H<1>}	108.4900	0.000	1	108.4900	0.000	1	107.2310	0.702	11	107.2310	0.702	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:H-1:	N[5,5]-3:C[5]-4:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5]CH)2{4|H<1>,4|O<2>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]HO)(CHHO)(H){1|O<2>,3|C<4>,3|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HO)2(H){2|C<4>,2|O<2>,4|H<1>}	106.6910	0.000	1	106.6910	0.000	1	107.2310	0.702	11	107.2310	0.702	11	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	3:4:4:3:	3:4:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	N[5,5]-3:C[5]-4:C-4:C-3:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(C[5]C[5]HH)	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(COO)	C[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	N[5,5](C[5,5]C[5]N[5]H)(C[5]C[5]CC)(C[5]C[5]HH){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5,5]C[5,5]C[5])(C[5]C[5]CH)(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,4|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>}	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	109.5440	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	3:4:2:1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	N[5,5]-3:C[5]-4:O[5]-2:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H)	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]O[5]H)(C[5]C[5]HH){4|C<3>,4|H<1>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5](N[5,5]C[5]2)(C[5]C[5]HH)(O[5]C[5,5])(H){3|C<3>,5|H<1>}	105.7070	0.000	1	105.7070	0.000	1	105.7070	0.000	1	105.7070	0.000	1	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-3:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH)	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5]3)(N[5,5]C[5]2)(C[5]C[5]C)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[6a]C[5]H)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,5|H<1>,7|C<3>}	C[5,5](C[5,5]C[5]3)(N[5,5]C[5]2)(C[5]C[5]C)(H){2|O<1>,4|C<3>,6|H<1>}	110.2770	0.762	2	110.2770	0.581	2	110.2770	0.581	2	108.9427	5.632	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5,5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5]-4:N[5,5]-3:C[5]-3:H-1:	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H)	N[5,5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]2H)(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]C[5]C)(H){3|C<3>,5|H<1>}	106.2740	0.000	1	106.2740	0.000	1	106.2740	0.000	1	108.9427	5.632	3	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CC[6a]O)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CC[6a]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	107.3360	0.000	1	107.3360	0.000	1	107.3360	0.000	1	106.8102	2.605	6	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<2>,2|C<3>,7|H<1>}	104.7160	0.000	1	105.4903	0.707	3	105.4903	0.707	3	106.8102	2.605	6	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|F<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	105.3700	0.000	1	105.4903	0.707	3	105.4903	0.707	3	106.8102	2.605	6	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]C[6a]H)(C[5]C[5]HH){4|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]C[5]HH)(H){1|N<3>,1|O<1>,2|C<3>,6|H<1>}	106.3850	0.000	1	105.4903	0.707	3	105.4903	0.707	3	106.8102	2.605	6	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,6]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,6]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,6]C[5]H)(C[5]C[5,6]C[6a]H)(C[5]S[5]HH){4|C<3>,4|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|C<4>,1|S<2>,5|C<3>,6|H<1>}	C[5,5](C[5,6]C[5a,6]C[5,6]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|N<2>,1|N<3>,2|C<3>,4|H<1>}	108.5270	0.462	2	108.5270	0.214	2	108.5270	0.214	2	106.8102	2.605	6	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:4:3:3:	C[5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:C-3:	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO)	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C){1|S<2>,4|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]S[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	105.3670	0.000	1	105.3670	0.000	1	106.6100	6.951	5	107.3078	8.482	6	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:4:3:3:	C[5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:C-3:	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO)	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C){4|H<1>,8|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]2)(H){1|N<2>,1|O<1>,2|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	107.9750	2.944	2	107.9750	8.669	2	106.6100	6.951	5	107.3078	8.482	6	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:4:3:3:	C[5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:N[5,5]-3:C[5a]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:C-3:	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO)	N[5,5](C[5]C[5,5]C[5a]H)2(C[5,5]C[5,5]2C){2|O<2>,4|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[5a]C[5a]O[5a])(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	105.8665	3.572	2	105.8665	12.756	2	106.6100	6.951	5	107.3078	8.482	6	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:4:3:3:	C[5]-4:C[5]-4:C[5,5]-4:	C[5,5]-4:N[5,5]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,5]-4:N[5,5]-3:C-3:	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H)	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO)	N[5,5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]C[6a]H)(C[5,5]C[5,5]2C){1|S<2>,4|H<1>,7|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,2|C<4>,4|H<1>,5|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)2(N[5,5]C[5]2)(COO){2|N<3>,2|O<1>,4|C<3>,4|H<1>}	110.7970	0.000	1	110.7970	0.000	1	110.7970	0.000	1	107.3078	8.482	6	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:4:3:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C-4:C-3:	C[5,5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]S[5]HH)	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO)	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,5]CC)(C[5]S[5]HH){2|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|H<1>}	C[5,5](C[5,5]C[5,5]C[5]H)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	107.7873	0.471	3	107.7873	0.222	3	107.7873	0.222	3	108.4470	1.889	4	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5,5]	4:4:4:	4:3:4:3:	4:3:4:1:	C[5,5]-4:C[5]-4:C[5]-4:	C[5,5]-4:N[5,5]-3:C-4:C-3:	C[5]-4:N[5,5]-3:C[5]-4:H-1:	N[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CC)(C[5]S[5]HH)	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(CCHH)(COO)	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H)	N[5,5](C[5,5]C[5]2H)(C[5]C[5,5]CC)(C[5]S[5]HH){3|C<3>,3|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5,5]C[5,5]C[5])(CCHH)(COO){1|C<4>,1|N<3>,1|O<1>,1|S<2>,3|C<3>,4|H<1>}	C[5,5](C[5]C[5,5]CH)(N[5,5]C[5]2)(C[5]S[5]HH)(H){1|C<4>,2|H<1>,3|C<3>}	110.4260	0.000	1	110.4260	0.000	1	110.4260	0.000	1	108.4470	1.889	4	108.3118	4.790	101	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,5]	C[5]	C[5]	3:4:4:	3:2:1:1:	3:2:1:1:	N[5,5]-3:C[5]-4:C[5]-4:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5]-3:S[5]-2:H-1:H-1:	N[5,5](N[5,5]C[5]2)(C[5]S[5]HH)2	C[5](N[5,5]N[5,5]C[5])(S[5]C[5])(H)2	C[5](N[5,5]N[5,5]C[5])(S[5]C[5])(H)2	N[5,5](N[5,5]C[5]2)(C[5]S[5]HH)2{4|H<1>}	C[5](N[5,5]N[5,5]C[5])(S[5]C[5])(H)2{1|C<4>,1|S<2>,4|H<1>}	C[5](N[5,5]N[5,5]C[5])(S[5]C[5])(H)2{1|C<4>,1|S<2>,4|H<1>}	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:4:4:	3:4:3:4:	3:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]HH)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[4x6]HH)(C[5]C[5]HH){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[3x6]HH)(C[6,6]N[6,6]O)(C[5]C[5]HH){2|C<4>,8|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	104.2710	0.000	1	104.2710	0.000	1	105.2905	2.079	2	105.2905	2.079	2	103.6737	8.882	3	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:4:4:	3:4:3:4:	3:4:1:1:	C[5,3x6]-4:C[6,6]-4:C[5]-4:	N[5,6,6]-3:C[6,6]-4:C[6,6]-3:C[5]-4:	N[5,6,6]-3:C[5]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]HH)	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH)	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6,6](C[5,3x6]C[6,6]2C[5])(C[6,6]C[5,3x6]HH)(C[5]C[5]HH){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[5,3x6](N[5,6,6]C[6,6]C[5])(C[6,6]C[5,6,6]HH)(C[6,6]N[6,6]O)(C[5]C[5]CH){3|C<4>,7|H<1>}	C[5](N[5,6,6]C[5,3x6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	106.3100	0.000	1	106.3100	0.000	1	105.2905	2.079	2	105.2905	2.079	2	103.6737	8.882	3	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,3x6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,3x6]-4:C[3x6]-4:C[5]-4:	C[5,3x6]-4:N[5,6,6]-3:C[6,6]-4:H-1:	N[5,6,6]-3:C[5,6]-4:H-1:H-1:	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH)	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H)	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2	N[5,6,6](C[5,3x6]C[5,3x6]C[6,6]H)(C[3x6]C[3x6]C[4x6]H)(C[5]C[5,6]HH){5|H<1>,6|C<4>}	C[5,3x6](C[5,3x6]C[4x6]C[5,6]H)(N[5,6,6]C[3x6]C[5])(C[6,6]C[6x6]HH)(H){1|O<2>,3|H<1>,6|C<4>}	C[5](N[5,6,6]C[5,3x6]C[3x6])(C[5,6]C[5,3x6]C[6]C)(H)2{5|C<4>,5|H<1>}	100.4400	0.000	1	100.4400	0.000	1	100.4400	0.000	1	100.4400	0.000	1	103.6737	8.882	3	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,5,6,6]	C[5,3x6]	4:4:4:	3:3:4:4:	3:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,6,6]-3:N[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	N[5,6,6]-3:C[3x6]-4:C[5,6]-4:H-1:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH){1|C<3>,5|C<4>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	102.0660	0.000	1	102.0660	0.000	1	102.0660	0.000	1	102.0660	0.000	1	102.0660	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:4:3:	3:4:2:3:	4:3:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:4:4:1:	3:4:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	106.3330	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,6]	C[5,6,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[6,6]-4:	N[5,6,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6,6]-3:C[5,6,6]-4:C[6]-4:H-1:	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH)	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H)	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H)	N[5,6,6](C[5,6,6]C[5,6,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6,6]C[6,6]HH){1|I<1>,1|O<2>,4|C<4>,5|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[6,6])(C[5,6]C[5,6,6]C[6]H)(C[6]C[6]HO)(H){1|I<1>,4|C<4>,7|H<1>}	C[5,6,6](N[5,6,6]C[5,6]C[6,6])(C[5,6,6]C[5,6]C[6]I)(C[6]C[6]HH)(H){4|C<4>,7|H<1>}	104.6010	0.595	16	104.6010	0.354	16	104.6010	0.354	16	104.6010	0.354	16	104.6010	0.354	16	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6,6,6a]-3:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	N[5,6,6]-3:C[6,6a]-3:C[5]-4:H-1:	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H)	N[5,6,6](C[5,6]C[6,6a]C[5]H)2(C[6,6,6a]C[6,6a]2){2|H<1>,8|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	C[5,6](N[5,6,6]C[6,6,6a]C[5,6])(C[6,6a]C[6,6a]C[6a])(C[5]C[6a]C[5]H)(H){3|H<1>,8|C<3>}	102.1460	0.000	1	102.1460	0.000	1	102.1460	0.000	1	102.1460	0.000	1	105.6620	5.690	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|I<1>,4|C<4>,9|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){2|S<2>,3|C<4>,4|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){3|C<4>,6|H<1>}	106.2080	0.000	1	106.8340	0.294	3	106.8340	0.294	3	106.8340	0.294	3	105.6620	5.690	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[6,6]-4:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H)	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6,6](C[5,6]C[5]C[6]H)2(C[6,6]C[6]2H){1|O<1>,3|C<4>,9|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,2|S<2>,4|H<1>}	C[5,6](N[5,6,6]C[5,6]C[6,6])(C[5]C[5]HH)(C[6]C[6]CH)(H){1|C<3>,2|C<4>,6|H<1>}	107.1470	0.000	2	106.8340	0.294	3	106.8340	0.294	3	106.8340	0.294	3	105.6620	5.690	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[3x5,6]	C[5]	4:4:4:	4:4:3:2:	3:4:1:1:	C[3x5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3:O[5]-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[3x5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,5,6]C[5]2C[6])(N[5,6]C[5]C[6])(O[5]C[5])	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[3x5,6]C[5,5,6]2O[5])(C[5]C[5]HH)(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[3x5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,5,6]C[5]2C[6])(N[5,6]C[5]C[6])(O[5]C[5]){11|H<1>,1|C<4>,1|O<1>,4|C<3>}	C[5](N[5,6]C[3x5,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	109.2165	0.189	2	109.2165	0.036	2	109.2165	0.036	2	109.2165	0.036	2	109.2165	0.036	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:4:3:	4:4:3:4:	3:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-3:	C[3x6]-4:C[5,6]-4:N[5,6]-3:C[6]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O)	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2	N[5,6](C[5,3x6]C[3x6]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]O){2|Cl<1>,1|C<3>,3|C<4>,6|H<1>}	C[5,3x6](C[3x6]C[6,6]C[6]H)(C[5,6]C[5]C[6]Cl)(N[5,6]C[5]C[6])(C[6]C[6]HH){1|Cl<1>,2|O<1>,4|C<4>,7|H<1>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,6]ClH)(H)2{1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	107.5350	0.000	1	107.5350	0.000	1	107.5350	0.000	1	107.5350	0.000	1	107.4340	6.742	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2	N[5,6](C[5,3x6]C[5,5,6,6]C[4x6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[5,3x6](C[5,5,6,6]C[5,3x6]C[5,6a]C[5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,3x6]C[6])(C[5]C[5,5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	109.3610	0.000	1	107.4340	6.742	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[3x5,6,6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2	N[5,6](C[5,3x6]C[3x5,6,6]C[4x6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	C[5,3x6](C[3x5,6,6]C[5,5,3x6]C[5,6a]C[5,5])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](C[5,5]C[3x5,6,6]C[5]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,3|H<1>,4|C<4>}	108.3910	0.000	1	108.3910	0.000	1	108.3910	0.000	1	106.7580	10.937	3	107.4340	6.742	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,4x6]-4:C[6,6]-4:N[5,6]-3:H-1:	C[5,6,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH)	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H)	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2	N[5,6](C[5,3x6]C[5,4x6]C[6,6]H)(C[5]C[5,6,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,3x6](C[5,4x6]C[5,6,6]C[6,6a]C[6,6])(C[6,6]C[3x6]HH)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,7|H<1>}	C[5](C[5,6,6]C[5,4x6]O[6,6]H)(N[5,6]C[5,3x6]C[6])(H)2{2|C<4>,3|C<3>,3|H<1>}	102.9520	0.000	1	102.9520	0.000	1	102.9520	0.000	1	106.7580	10.937	3	107.4340	6.742	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,3x6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,3x6]-4:C[5]-4:C[6]-4:	C[5,5,3x6]-4:C[4x6]-4:N[5,6]-3:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H)	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2	N[5,6](C[5,3x6]C[5,5,3x6]C[4x6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){2|C<3>,3|H<1>,4|C<4>}	C[5,3x6](C[5,5,3x6]C[5,4x6]C[5,6a]C[5,6])(C[4x6]C[6,6]2C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[5](C[5,6]C[5,5,3x6]C[6]H)(N[5,6]C[5,3x6]C[6])(H)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	108.9310	0.000	1	108.9310	0.000	1	108.9310	0.000	1	106.7580	10.937	3	107.4340	6.742	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,3x6]	C[5,6]	4:4:4:	4:4:3:4:	4:3:1:1:	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:	C[5,5,6]-4:N[5,6]-3: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[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	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[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>}	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	106.3290	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6,6]	C[5]	4:4:4:	4:3:3:4:	3:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:N[5,6]-3:N[5,6]-3:C[6,6]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,3|C<3>,3|C<4>,4|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(N[5,6]C[5]C[6])(C[6,6]C[6]2C){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	103.6070	0.000	1	103.6070	0.000	1	103.6070	0.000	1	103.6070	0.000	1	107.1867	9.968	3	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6,6]	C[5]	4:4:4:	4:3:4:3:	3:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:N[5,6]-3:C[6,6]-4:N[5,6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5]C[6,6]N[5,6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[5,5,6,6](C[5,5]C[5,6a]C[5]O)(N[5,6]C[5,6a]C[6])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	108.3790	0.000	1	108.3790	0.000	1	108.3790	0.000	1	108.3790	0.000	1	107.1867	9.968	3	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6,6]	C[5]	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C)	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,5,6,6]C[5,5,6]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,4|C<3>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(N[5]C[5,6a]C){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5](N[5,6]C[5,5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	109.5740	0.000	1	107.1867	9.968	3	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,5,6]	4:4:4:	4:4:3:1:	4:4:3:1:	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:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3: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[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)	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[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>}	101.4455	0.281	2	101.4455	0.079	2	101.4455	0.079	2	101.4455	0.079	2	101.4455	0.079	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6,6]	4:4:3:	4:3:3:1:	4:3:2:1:	C[5,5,6]-4:C[5,6,6]-4:C-3:	C[5,5,6]-4:C[5,6,6a]-3:N[5,6]-3:H-1:	C[5,5,6,6]-4:N[5,6]-3:O[6]-2:H-1:	N[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(COO)	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H)	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H)	N[5,6](C[5,5,6]C[5,6,6a]C[5,5,6]H)(C[5,6,6]C[5,5,6,6]O[6]H)(COO){2|H<1>,4|C<3>}	C[5,5,6](C[5,5,6]C[5,5,6,6]C[6,6]H)(C[5,6,6a]C[5,6,6a]C[6a])(N[5,6]C[5,6,6]C)(H){1|O<2>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6,6]C[5,6,6a]C[5,5,6]H)(N[5,6]C[5,5,6]C)(O[6]C[6,6])(H){1|C<4>,2|H<1>,3|C<3>}	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	107.6500	0.000	1	105.6370	8.104	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6,6]	4:4:4:	4:4:3:1:	4:4:3:1:	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:	C[5,6,6]-4:C[6,6]-4:N[5,6]-3: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[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)	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[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>}	103.6240	0.000	1	103.6240	0.000	1	103.6240	0.000	1	103.6240	0.000	1	105.6370	8.104	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:2:	4:3:3:1:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:O-2:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:C-3:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OP)	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]O)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]O)(COO)(H)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OP){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]O)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]O)(COO)(H){1|C<3>,4|H<1>}	105.2840	0.000	1	105.2840	0.000	1	105.2840	0.000	1	105.2840	0.000	1	106.6697	3.182	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:C[5,5,6]-4:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(N[5,6]C[5,6]C[6])(C[5]O[5]O)	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,5,6]C[5,5,6]C[6,6a]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,5,6](C[6,6a]C[6,6a]C[6a])(C[5,5,6]C[5]2C[6])(N[5,6]C[5,6]C[6])(C[5]O[5]O){1|N<3>,1|O<1>,2|C<4>,3|C<3>,7|H<1>}	C[5,6](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(C[6]C[6]HH)(H){2|C<4>,3|C<3>,4|H<1>}	105.1680	0.000	1	105.1680	0.000	1	105.1680	0.000	1	105.1680	0.000	1	106.6697	3.182	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:S-4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(SC[6a]OO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO){1|P<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	108.1135	1.097	2	108.1135	1.203	2	108.1135	1.203	2	108.1135	1.203	2	106.6697	3.182	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:3:	4:3:2:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:O[5]-2:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6]C[5,5]C[6]O[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[5,5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(O[5]C[5,5,6])(C[6]N[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,6|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	110.3470	0.000	1	107.3769	3.782	9	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	N[5,6]-3:C[5,6]-4:C[5,5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H)	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){2|C<3>,3|H<1>,6|C<4>}	C[5,5,6](N[5,6]C[6,6]C[5])(C[5,6]C[5]C[6]C)(C[5,5]C[5]2H)(H){1|C<3>,1|O<1>,2|C<4>,8|H<1>}	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	108.4850	0.000	2	108.4850	0.000	2	108.4850	0.000	2	108.4850	0.000	2	107.3769	3.782	9	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,5,6]-4:C[6,6]-4:C[5]-4:	C[5,6,6]-4:N[5,6]-3:C[5,5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H)	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2	N[5,6](C[5,5,6]C[5,6,6]C[5,5]H)(C[6,6]C[5,6]C[6,6]H)(C[5]C[5]HH){1|C<3>,3|H<1>,7|C<4>}	C[5,5,6](C[5,6,6]C[6,6]C[5]C[6])(N[5,6]C[6,6]C[5])(C[5,5]C[5]2H)(H){10|H<1>,1|C<3>,1|O<2>,4|C<4>}	C[5](N[5,6]C[5,5,6]C[6,6])(C[5]C[5,5]CH)(H)2{1|C<3>,3|C<4>,3|H<1>}	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	109.6010	0.000	1	107.3769	3.782	9	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,5,6]C[5,5,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[5,5,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<3>,9|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.0690	0.345	2	106.0690	0.119	2	106.0690	0.119	2	105.7947	0.285	3	107.3769	3.782	9	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[3,5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2	N[5,6](C[5,5,6]C[3,5,5]C[5,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,5,6](C[3,5,5]C[3,5]C[3]C[5])(C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]C[6])(H){1|O<1>,2|C<3>,9|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[3,5,5]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	105.2460	0.000	1	105.2460	0.000	1	105.2460	0.000	1	105.7947	0.285	3	107.3769	3.782	9	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,5,6]-4:C[6]-4:C[5]-4:	C[5,5]-4:C[6,6]-4:N[5,6]-3:N[5]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[6,6]N[5])(C[6]C[6,6]HH)(C[5]C[5]HH)	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H)	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,5,6]C[5,5]C[6,6]N[5])(C[6]C[6,6]HH)(C[5]C[5]HH){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,6a]C[5]O)(C[6,6]C[6,6]C[6]H)(N[5,6]C[5]C[6])(N[5]C[5,6a]H){1|C<4>,3|C<3>,9|H<1>}	C[5](N[5,6]C[5,5,6]C[6])(C[5]C[5,5]HH)(H)2{1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	107.1420	0.000	1	107.3769	3.782	9	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5]	4:4:4:	4:4:4:3:	3:4:1:1:	C[5,5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:C[5,6]-4:C[5,6]-4:N[5,6]-3:	N[5,6]-3:C[5,5]-4:H-1:H-1:	N[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])	C[5](N[5,6]C[5,5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]2)(C[5]C[5,5]HH)(C[6]C[6]HH){2|O<2>,5|C<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]O[6]H)(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6]){3|C<3>,4|H<1>,5|C<4>}	C[5](N[5,6]C[5,5,6]C[6])(C[5,5]C[5,5]C[5]C)(H)2{1|C<3>,1|O<2>,3|C<4>,5|H<1>}	104.9480	0.000	1	104.9480	0.000	1	104.9480	0.000	1	104.9480	0.000	1	107.3769	3.782	9	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:3:4:1:	3:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|Cl<1>,1|C<4>,3|C<3>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5]C[5,5]HH)(H){2|C<4>,3|C<3>,5|H<1>}	103.9630	0.000	1	103.9630	0.000	1	103.9630	0.000	1	103.9630	0.000	1	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:3:4:1:	3:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6]CH){2|C<4>,3|C<3>,4|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6a]C[6]H)(O[5]C[5,5])(H){2|C<4>,4|C<3>,5|H<1>}	101.7970	0.000	1	101.7970	0.000	1	101.1870	0.744	2	101.1870	0.744	2	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:3:4:1:	3:4:2:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]H)(C[5,6]C[6]O[5]H)(C[6]C[6a]C[6]H){2|C<4>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]O[5]H)(H){2|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[6]CH)(O[5]C[5,5])(H){1|C<4>,3|H<1>,4|C<3>}	100.5770	0.000	1	100.5770	0.000	1	101.1870	0.744	2	101.1870	0.744	2	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:3:4:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H)	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2H)(H){1|C<4>,4|C<3>,7|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6,6a]HH)(H){1|C<4>,4|H<1>,5|C<3>}	106.9910	0.000	1	106.9910	0.000	1	107.4093	0.150	3	107.4093	0.150	3	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:3:4:1:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,5a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H)	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,5a]C[5,5]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5,5](C[5,5a]N[5,5a]C[5a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]2C)(H){3|C<3>,3|C<4>,6|H<1>}	C[5,6](C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	107.6185	0.192	2	107.6185	0.037	2	107.4093	0.150	3	107.4093	0.150	3	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:3:4:3:	3:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O)	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<4>,3|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]HH)(C[5]N[5]O){1|S<4>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,4|C<3>,6|H<1>}	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	106.6950	0.000	1	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:3:4:3:	3:4:3:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[5,5]-4:C[5]-3:	C[6,6a]-3:C[5]-4:N[5,6]-3:H-1:	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H)	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,5]C[5]3)(C[5]N[5]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,5]C[6])(H){2|C<4>,3|H<1>,7|C<3>}	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	107.0390	0.000	1	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	N[5,6]-3:C[5,5]-4:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5,5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,1|S<2>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){1|S<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5,5]C[5]2S[5])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	107.0880	0.000	1	107.0880	0.000	1	107.0880	0.000	1	108.2543	1.463	3	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5]2)(C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5]CH)(C[5]N[5]O){1|C<4>,4|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[6a]C[5]H)(C[6]C[6,6a]HH)(H){3|H<1>,7|C<3>}	108.8375	0.941	2	108.8375	0.886	2	108.8375	0.886	2	108.2543	1.463	3	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:3:4:3:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:C[5]-3:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]2)(C[5]C[5,6a]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,7|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){2|C<4>,4|H<1>,5|C<3>}	108.0372	0.536	5	108.0372	0.288	5	108.0372	0.288	5	108.0372	0.288	5	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:4:3:3:	3:4:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5,5]-4:N[5,6]-3:C[5]-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,5]C[5])(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,1|O<1>,2|C<4>,5|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,5]C[6])(C[5]C[5,5]CH)(C[6]C[6]HH)(H){1|C<4>,4|C<3>,4|H<1>}	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	106.9040	0.000	1	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	3:4:3:3:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:C[5]-3:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O)	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a,6a]C[6a])(C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(C[5]C[5,6a]O){1|N<3>,3|C<4>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	4:3:3:2:	4:3:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5,5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	103.0325	0.210	4	103.0325	0.044	4	102.9092	0.294	15	102.9092	0.294	15	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	4:3:3:2:	4:3:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){2|C<4>,5|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	102.8923	0.630	3	102.8632	0.270	5	102.9092	0.294	15	102.9092	0.294	15	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	4:3:3:2:	4:3:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[5,5](C[3x5]C[5,5,6]C[5,6a]N[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){3|C<4>,5|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	102.8195	0.527	2	102.8632	0.270	5	102.9092	0.294	15	102.9092	0.294	15	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	4:3:3:2:	4:3:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	102.8115	0.238	2	102.8962	0.697	5	102.9092	0.294	15	102.9092	0.294	15	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	4:3:3:2:	4:3:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[5,5](C[3x5]C[5,5,6]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	102.9527	1.164	3	102.8962	0.697	5	102.9092	0.294	15	102.9092	0.294	15	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	4:3:3:2:	4:3:1:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[3x5]-4:C[5,6a]-3:N[5,6]-3:O-2:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH)	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH)	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2	N[5,6](C[5,5]C[5,6a]C[3x5]O)(C[5,6]C[5,5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,5|C<3>}	C[5,5](C[3x5]C[5,5,6]N[5,5]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(OH){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[3x5]C[5]C[6])(N[5,6]C[5,5]C[6])(H)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	102.7110	0.000	1	102.7110	0.000	1	102.9092	0.294	15	102.9092	0.294	15	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,5]	C[5,6]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O)	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,5]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|O<1>,2|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,5](C[5,6]C[6,6a]C[5,6]H)(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]N[5]O){1|N<3>,3|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[6]N)(N[5,6]C[5,5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,4|C<3>,6|H<1>}	106.9285	0.173	2	106.9285	0.030	2	106.9285	0.030	2	106.9285	0.030	2	105.0960	6.500	35	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:3:4:	3:2:4:3:	3:3:1:1:	C[5,6,6]-4:C[6,6a]-3:C[5]-4:	N[5,6]-3:O[6,6]-2:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH)	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H)	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]H)(H)2	N[5,6](C[5,6,6]O[6,6]C[5]C[6])(C[6,6a]C[6,6,6a]C[6a])(C[5]C[5]HH){1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](N[5,6]C[6,6a]C[5])(O[6,6]C[3x6])(C[5]C[5]HH)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6,6a])(C[5]C[5]H)(H)2{1|O<2>,2|H<1>,3|C<3>}	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	110.9290	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:3:4:	4:3:4:1:	3:3:1:1:	C[5,6,6]-4:C[6]-3:C[5]-4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]C)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]O)(C[5]C[5]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|O<1>,1|O<2>,4|C<3>,4|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]C)(H)2{1|C<4>,1|H<1>,1|O<1>,3|C<3>}	103.9280	0.000	1	103.9280	0.000	1	103.9280	0.000	1	103.9280	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:3:	3:4:4:2:	3:3:4:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6,6]-4:C[6]-4:O[5]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5])	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6,6]C[6,6]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<4>,3|C<3>,7|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[6]C[6]HH)(O[5]C[5]){1|O<1>,2|C<3>,2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	109.0730	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:3:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-3:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O)	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]O){1|C<3>,1|C<4>,7|H<1>}	C[5,6,6](C[5,6]C[6,6a]C[5]H)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,1|O<1>,2|C<4>,2|H<1>}	105.9500	0.000	1	105.9500	0.000	1	105.9500	0.000	1	105.9500	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:2:4:4:	4:3:1:1:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH){1|O<2>,6|H<1>,7|C<4>}	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|O<2>,4|C<4>,6|H<1>}	C[5](C[5,6]O[5,6]C[6]H)(N[5,6]C[5,6,6]2)(H)2{1|O<2>,2|H<1>,5|C<4>}	107.8795	0.274	2	107.8795	0.075	2	107.8795	0.075	2	107.8795	0.075	2	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:3:3:3:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){4|C<3>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]H){1|C<4>,3|C<3>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	106.3120	0.000	1	106.3120	0.000	1	106.3120	0.000	1	107.2425	1.732	2	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:3:3:3:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[6,6]-3:N[5,6]-3:N[5]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6])(N[5,6]C[5]C[6])(N[5]C[5]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6,6]C[6,6a]C[6,6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,3|C<3>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6])(N[5,6]C[5]C[6])(N[5]C[5]H){1|C<4>,1|N<2>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	108.1730	0.000	1	108.1730	0.000	1	108.1730	0.000	1	107.2425	1.732	2	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:3:3:4:	3:3:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[5,6]-3:N[5,6]-3:C[6]-4:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(H)2	N[5,6](C[5,6,6]C[6,6a]C[5,6]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]H)(H)2{2|C<3>,2|C<4>,2|H<1>}	107.6637	0.222	3	107.6637	0.049	3	107.6637	0.049	3	107.6637	0.049	3	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:3:4:4:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6,6]-3:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,7|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(C[5]C[5]HH)(C[6]C[6]HO){1|C<3>,2|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	106.9250	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5a,6]-3:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5a,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6,6]C[5]C[6]2)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	102.7280	0.000	1	102.7280	0.000	1	102.7280	0.000	1	102.7280	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5a,6]-3:C[5,6]-4:N[5,6]-3:C[6]-3:	N[5,6]-3:C[5,6]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2	N[5,6](C[5,6,6]C[5a,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5,6,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5,6]C[5]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]C[6]H)(H)2{1|C<4>,3|C<3>,6|H<1>}	104.1490	0.000	1	104.1490	0.000	1	104.1490	0.000	1	104.1490	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:4:3:4:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-3:C[5,6]-4:N[5,6]-3:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,6,6]N[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(CH3){1|O<1>,2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	102.0745	0.117	2	102.0745	0.014	2	102.0745	0.014	2	102.0745	0.014	2	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:4:4:3:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6,6]-4:C[6]-4:C[5]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2O)(C[6]C[6]HH)(C[5]C[5]C){10|H<1>,4|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|H<1>,3|C<4>}	103.0630	0.000	1	103.0630	0.000	1	103.0630	0.000	1	103.0630	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	3:4:4:4:	3:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH)	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H)	N[5,6](C[5,6,6]C[6,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]CH){3|C<4>,9|H<1>}	C[5,6,6](N[5,6]C[5]C[6])(C[6,6]C[6]2H)(C[5]C[5]HH)(C[6]C[6]HH){10|H<1>,1|C<2>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5]HH)(CHHO)(H){1|C<2>,3|C<4>,3|H<1>}	101.9130	0.000	1	101.9130	0.000	1	101.9130	0.000	1	101.9130	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6,6]O)(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	100.9550	0.000	1	100.9550	0.000	1	100.9550	0.000	1	101.0713	0.031	3	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:N[5,6]-3:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,1|N<4>,5|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6])2(H){5|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|C<4>,3|H<1>}	101.1295	0.203	2	101.1295	0.041	2	101.1295	0.041	2	101.0713	0.031	3	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:3:4:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[3x6]-4:N[5,6]-3:N[5,6]-3:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,4|H<1>}	C[5,6,6](C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])2(CH3){1|C<3>,3|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{2|H<1>,4|C<4>}	103.3325	2.524	2	103.3325	6.369	2	103.3325	6.369	2	103.3325	6.369	2	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	108.0240	0.000	1	108.1830	0.051	2	108.5158	0.877	5	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	108.3420	0.000	1	108.1830	0.051	2	108.5158	0.877	5	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[5,6])(C[5]C[5,5,6]HH)(H)2{2|C<4>,2|H<1>,3|C<3>}	108.7377	1.243	3	108.7377	1.544	3	108.5158	0.877	5	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|I<1>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	104.4105	0.581	2	104.6399	1.372	15	104.5991	1.307	16	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){11|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	103.9572	0.160	5	104.6399	1.372	15	104.5991	1.307	16	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Cl<1>,1|C<3>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	103.5725	0.162	2	104.6399	1.372	15	104.5991	1.307	16	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	105.3120	0.000	1	104.6399	1.372	15	104.5991	1.307	16	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	105.4128	1.432	4	104.6399	1.372	15	104.5991	1.307	16	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){1|N<3>,4|C<3>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	106.8840	0.000	1	104.6399	1.372	15	104.5991	1.307	16	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	103.9870	0.000	1	103.9870	0.000	1	104.5991	1.307	16	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[6,6]C[5])(N[5,6]C[5]C[6])(C[6,6]C[6]2C)(H){10|H<1>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	110.0700	0.000	1	110.0700	0.000	1	110.0700	0.000	1	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<3>,1|C<4>,2|O<2>,5|H<1>}	C[5,6,6](C[5,6]C[5,6]HO)(N[5,6]C[5]C[6])(C[6,6]C[6]2H)(H){1|C<4>,1|O<1>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5,6]C[5,6]O[6]H)(H)2{1|O<2>,3|C<4>,4|H<1>}	106.4970	0.000	1	106.4970	0.000	1	106.4970	0.000	1	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(C[6,6]C[6]2O)(H){11|H<1>,1|O<2>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	103.6130	0.198	2	103.6130	0.039	2	103.6130	0.039	2	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,6,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,6,6]C[6,6a]C[5]C[6])(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	104.3390	0.000	1	104.3390	0.000	1	104.3390	0.000	1	105.5499	4.476	26	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[3,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[3,6,6]C[5,5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[3,6,6]C[6,6]C[3]O[3])(N[5,6]C[5]C[6])(H){1|N<3>,2|C<4>,3|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	101.2360	0.000	1	101.2360	0.000	1	101.2360	0.000	1	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,2|C<3>,2|O<2>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	104.9520	0.000	1	104.9520	0.000	1	105.5835	4.080	4	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,4|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){12|H<1>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	103.3330	0.000	1	105.7940	5.855	3	105.5835	4.080	4	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,2|C<4>,2|O<2>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	105.8790	0.000	1	105.7940	5.855	3	105.5835	4.080	4	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	108.1700	0.000	1	105.7940	5.855	3	105.5835	4.080	4	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]CH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	101.4750	0.000	1	101.4750	0.000	1	105.0887	8.671	19	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,2|C<3>,2|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	101.7990	0.000	1	107.2608	3.755	10	105.0887	8.671	19	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	107.8677	0.285	9	107.2608	3.755	10	105.0887	8.671	19	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,1|S<2>,2|C<3>,2|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]CO)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|S<2>,3|C<3>,6|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HS)(H)2{2|C<3>,2|C<4>,3|H<1>}	101.3330	0.000	1	101.3330	0.000	1	105.0887	8.671	19	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	101.4480	0.000	1	103.0386	3.086	7	105.0887	8.671	19	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|N<3>,4|C<3>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<4>,3|C<3>,3|H<1>}	104.9057	0.215	3	103.0386	3.086	7	105.0887	8.671	19	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	101.8040	0.000	1	103.0386	3.086	7	105.0887	8.671	19	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	101.6505	0.238	2	103.0386	3.086	7	105.0887	8.671	19	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[5]C[6])(C[5,5,6]N[5,6]C[5]2)(N[5,6]C[5]C[6])(H){11|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	104.8460	0.096	2	104.8460	0.009	2	104.8460	0.009	2	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){3|H<1>,6|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,7|C<4>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|C<4>,4|H<1>}	102.7630	0.000	1	102.7630	0.000	1	102.9150	0.046	2	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]O)(N[5,6]C[5]C[6])(H){1|C<3>,6|C<4>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	103.0670	0.000	1	103.0670	0.000	1	102.9150	0.046	2	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){5|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|H<1>,4|C<4>}	104.1325	0.339	2	103.7990	0.391	3	103.7990	0.391	3	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:N[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6,6]N[5,6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|N<3>,5|H<1>}	C[5,6,6](C[5,6,6]N[5,6]2H)(N[5,6]C[5]C[6]C)(N[5,6]C[5]C[6])(H){4|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(H)2{3|H<1>,4|C<4>}	103.1320	0.000	1	103.7990	0.391	3	103.7990	0.391	3	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){4|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){1|C<3>,4|C<4>,6|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|H<1>,4|C<4>}	108.8540	0.000	1	109.5252	1.601	4	107.9268	13.976	5	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){4|H<1>,5|C<4>}	C[5,6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]HH)(N[5,6]C[5]C[6])(H){2|C<3>,3|C<4>,6|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{3|H<1>,4|C<4>}	109.7490	1.450	3	109.5252	1.601	4	107.9268	13.976	5	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[5,6,6](C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(N[5,6]C[5]C[6])(H){1|O<1>,4|C<4>,5|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|C<3>,2|C<4>,4|H<1>}	101.5330	0.000	1	101.5330	0.000	1	107.9268	13.976	5	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|H<1>,5|C<4>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[5,6,6]C[5,6]C[5]C[6])(N[5,6]C[5]C[6])(H){11|H<1>,1|N<3>,1|O<2>,2|C<4>,3|C<3>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.6855	0.450	2	106.6855	0.203	2	106.6855	0.203	2	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|C<3>,1|O<2>,3|H<1>,4|C<4>}	C[5,6,6](C[5,5,6]C[5,6,6]C[5,6a]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){10|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{1|C<3>,3|C<4>,3|H<1>}	108.2580	0.000	1	108.2580	0.000	1	106.8597	1.342	4	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	105.6390	0.000	1	106.3937	0.710	3	106.8597	1.342	4	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[5,5,6]-4:C[6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[6]C[3,6]HH)(C[5]C[5]HH){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[3,6]C[6]C)(N[5,6]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<2>,3|C<3>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,5,6]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	106.7710	0.752	2	106.3937	0.710	3	106.8597	1.342	4	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]Br)(N[5,6]C[5]C[6])(H){3|C<3>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	104.8440	0.000	1	104.8440	0.000	1	104.6350	0.038	3	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|C<4>,1|O<1>,2|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	104.6050	0.000	1	104.5305	0.011	2	104.6350	0.038	3	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	3:4:1:1:	C[5,6,6]-4:C[6]-4:C[5]-4:	C[6,6]-4:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){1|C<4>,3|C<3>,4|H<1>}	C[5,6,6](C[6,6]C[6,6a]C[6]H)(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H){1|O<2>,3|C<3>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	104.4560	0.000	1	104.5305	0.011	2	104.6350	0.038	3	105.3672	7.154	45	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:2:	3:4:1:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:C[5,6]-4:N[5,6]-3:O-2:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH)	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2	N[5,6](C[5,6,6]C[5,6,6]C[5,6]O)(C[5]C[5]HH)(C[6]C[6]HH){1|C<3>,3|H<1>,5|C<4>}	C[5,6,6](C[5,6,6]C[5,5]C[6,6]C[5])(C[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(OH){1|C<3>,6|C<4>,9|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]C[5,6]CH)(H)2{1|O<2>,3|C<4>,3|H<1>}	103.1430	0.000	1	103.1430	0.000	1	103.1430	0.000	1	103.1430	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5]	4:4:4:	4:4:3:4:	3:4:4:1:	C[5,6,6]-4:C[5]-4:C[6]-4:	N[5,6]-4:C[3x6]-4:N[5,6]-3:C-4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3)	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H)	N[5,6](C[5,6,6]C[3x6]N[5,6]C)(C[5]C[5]CH)(C[6]C[6]HH){1|N<3>,1|N<4>,2|C<4>,5|H<1>}	C[5,6,6](N[5,6]C[5]C[6]H)(C[3x6]N[6,6]2C)(N[5,6]C[5]C[6])(CH3){5|C<4>,8|H<1>}	C[5](N[5,6]C[5,6,6]C[6])(C[5]N[5,6]HH)(CHHO)(H){3|H<1>,4|C<4>}	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	107.4950	0.000	1	105.3373	6.751	96	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,5,6]	4:4:1:	4:3:1:1:	4:3:3:4:	C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:H-1:H-1:	C[5,5]-4:C[5,6]-3:N[5,6]-3:C-4:	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]H)(H)2	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(N[5,6]C[5,6]H)(CH3)	N[5,6](C[5,5,6]C[5,5]C[5,6]C)(C[5,6]C[5,5,6]HH)(H){1|O<1>,2|H<1>,2|O<2>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]H)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5,5,6](C[5,5]C[5,5,6]HO)(C[5,6]O[5,6]O)(N[5,6]C[5,6]H)(CH3){3|H<1>}	104.7990	0.000	1	104.7990	0.000	1	104.7990	0.000	1	104.7990	0.000	1	104.7990	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,5]	4:4:4:	3:3:4:1:	3:4:3:3:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5,6]-3:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,5]C[6])(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,6|C<3>,6|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]C[6])(C[5]N[5]O){2|C<4>,5|H<1>,6|C<3>}	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	105.8770	0.000	1	109.4386	5.906	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,5]	4:4:4:	3:4:3:1:	3:3:4:3:	C[5,6]-4:C[5,5]-4:C[6]-4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[5]-4:C[5]-3:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,5]C[5,6a]C[5]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(C[5]N[5]O){2|C<4>,4|H<1>,5|C<3>}	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	107.2120	0.000	1	109.4386	5.906	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,5]	4:4:4:	3:4:3:1:	3:4:4:3:	C[5,6]-4:C[5,5]-4:C[6]-4:	N[5,6]-3:C[6]-4:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-3:	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH)	C[5,6](N[5,6]C[5,5]C[6])(C[6]N[6]HH)(N[5]C[5]C)(H)	C[5,5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)2(C[5]N[5]O)	N[5,6](C[5,6]C[6]N[5]H)(C[5,5]C[5]3)(C[6]C[6]CH){1|N<3>,2|O<1>,3|C<4>,6|H<1>}	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[5,5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)2(C[5]N[5]O){1|C<3>,3|C<4>,6|H<1>}	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	109.4386	5.906	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,5]	4:4:4:	3:4:4:1:	3:4:4:4:	C[5,6]-4:C[5,5]-4:S[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[5]-4:C[5]-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]3)(S[6]O[6]OO)	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)3	N[5,6](C[5,6]C[5]C[6]H)(C[5,5]C[5]3)(S[6]O[6]OO){1|C<3>,3|C<4>,9|H<1>}	C[5,6](N[5,6]C[5,5]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)3{1|C<3>,1|C<4>,1|O<2>,2|O<1>,6|H<1>}	111.3058	0.585	4	111.3058	0.342	4	111.3058	0.342	4	111.3058	0.342	4	109.4386	5.906	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:3:4:	4:3:3:1:	C[5,6]-4:C[5,6]-4:D-1:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(D)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,5]C[6]H)(D){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]D)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	103.0650	0.000	1	103.0650	0.000	1	103.0650	0.000	1	103.0650	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6a]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H)	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|O<1>,4|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6a])(C[5]C[5]CH)(H){3|H<1>,6|C<3>}	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[6,6a]O)(C[5]C[5]CH)(H){2|H<1>,5|C<3>}	102.2870	0.000	1	102.2870	0.000	1	102.2870	0.000	1	102.2870	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	3:3:4:2:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O){1|C<4>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:3:4:2:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:S-2:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,5,6,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[6]N[5,6,6]O)(C[5]C[5,6]HH)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	112.5050	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:N-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(NHS)	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	N[5,6](C[5,6]C[5]C[6]H)2(NHS){1|Si<4>,1|C<3>,1|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){1|C<4>,5|H<1>}	101.9740	0.000	3	101.9740	0.000	3	101.9740	0.000	3	101.9740	0.000	3	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:3:2:	C[5,6]-4:C[5,6]-4:C[6]-3:	N[5,6]-3:C[5,6]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-3:S-2:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]S)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]C[6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(SC){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	111.9495	0.687	2	111.9495	0.471	2	111.9495	0.471	2	111.9495	0.471	2	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(CC[3]O)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(CC[3]O){1|N<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H){2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]N[6]HH)(H){2|C<4>,4|H<1>}	101.2310	0.000	1	101.2310	0.000	1	101.2310	0.000	1	101.2310	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:3:1:	C[5,6]-4:C[5,6]-4:N-3:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS)	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS){1|C<3>,7|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	102.9410	0.000	3	102.9410	0.000	3	102.9410	0.000	3	102.7346	0.080	5	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:3:1:	C[5,6]-4:C[5,6]-4:N-3:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[6]-4:C[5]-3:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS)	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(NHS){1|Si<4>,1|C<3>,1|C<4>,5|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]SiH)(C[5]C[5]C)(H){2|C<4>,4|H<1>}	102.4250	0.000	2	102.4250	0.000	2	102.4250	0.000	2	102.7346	0.080	5	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:2:1:	3:2:3:1:	C[5,6]-4:C[5,6]-4:S-4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	N[5,6]-3:O[6]-2:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]H)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H)	C[5,6](N[5,6]C[5,6]S)(O[6]C[6,6a])(C[5]O[5]C)(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5,6]C[5]O[6]H)(SC[6a]OO){3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(O[5]C[5])(H){1|O<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5,6]S)(O[6]C[6,6a])(C[5]O[5]C)(H){1|H<1>,2|C<3>}	99.9557	0.000	1	99.9557	0.000	1	99.9557	0.000	1	99.9557	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>,7|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(H){2|C<4>,3|C<3>,5|H<1>}	102.7230	0.000	1	102.7230	0.000	1	102.6685	0.006	2	102.6685	0.006	2	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[6,6a]C[5]H)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,3|C<3>,8|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H){2|C<4>,3|C<3>,5|H<1>}	102.6140	0.000	1	102.6140	0.000	1	102.6685	0.006	2	102.6685	0.006	2	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:4:1:	3:3:4:3:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:C[6a]-3:	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6]C[6,6a]C[5,6]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2)	N[5,6](C[5,6]C[6,6a]C[6a]C[5])(C[5,6]C[6,6a]C[5,6]H)(C[6]C[6]HH){1|C<4>,4|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(H){1|C<4>,1|O<2>,5|C<3>,6|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6a]C[6a]2){2|C<4>,5|C<3>,7|H<1>}	101.3330	0.000	1	101.3330	0.000	1	101.3330	0.000	1	101.3330	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,3|C<3>,3|H<1>}	103.8570	0.707	2	103.8570	0.500	2	103.8570	0.500	2	104.7193	2.481	3	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:4:1:	4:3:1:1:	C[5,6]-4:C[5,6]-4:S[6]-4:	C[5,6]-3:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:Br-1:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]BrH)(S[6]C[6,6a]OO)	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]BrH)(S[6]C[6,6a]OO){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]S[6])(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,2|C<3>,2|O<1>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]S[6])(Br)(H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	106.4440	0.000	1	106.4440	0.000	1	106.4440	0.000	1	104.7193	2.481	3	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){2|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6a,6a]C[6,6a])(N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]C)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](C[5]C[5,6]C[6a]H)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){2|C<4>,4|C<3>,5|H<1>}	104.6277	1.314	3	104.6277	1.726	3	104.6277	1.726	3	104.6277	1.726	3	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6]C[5,6]2)(H)	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H){1|O<1>,1|O<2>,3|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[5,6]C[5,6]2)(H){1|O<2>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	105.3380	0.000	1	105.3380	0.000	1	105.3380	0.000	1	104.1915	2.629	2	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	N[5,6]-3:C[5,6]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H)	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H)	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5]C[6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5,6]C[5]C[6]H)(C[6]O[6]O)(H){2|C<3>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6])(C[5]C[5,6]CH)(C[6]C[6]C)(H){1|C<3>,2|C<4>,6|H<1>}	103.0450	0.000	1	103.0450	0.000	1	103.0450	0.000	1	104.1915	2.629	2	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	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[5]-4:C[6]-4: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[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HI)(H)	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[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>}	100.6120	0.000	1	100.6120	0.000	1	100.6120	0.000	1	100.6120	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:4:	C[5,6]-4:C[5,6]-4:S[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C[6]-4:	N[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(S[6]O[6]OO)	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(C[6]C[6]HH)2	N[5,6](C[5,6]C[5]C[6]2)(C[5,6]C[5]C[6]H)(S[6]O[6]OO){1|C<3>,3|C<4>,9|H<1>}	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(C[6]C[6]HH)(H){1|O<2>,2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[5,6](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(C[6]C[6]HH)2{1|C<3>,1|O<2>,2|C<4>,2|O<1>,6|H<1>}	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	111.2700	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:N[5,6]-3:C[6]-3:H-1:	C[5,5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H)	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5,5,6]C[6]H)(C[5,6]C[5,6]C[6]H)(C[6]C[6]HH){1|C<4>,1|O<2>,2|C<3>,7|H<1>}	C[5,6](C[5,6]C[5,5,6]HH)(N[5,6]C[5,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	C[5,6](C[5,5,6]C[5,6]2O[5])(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<4>,4|C<3>,7|H<1>}	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	106.5540	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5,6]-4:C[6]-4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH)	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5,6]C[5,6]HH)(C[6]C[6,6a]HH){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5,6]C[6]O)(N[5,6]C[5,6]C[6])(C[6]C[6]HH)(H){1|O<2>,3|C<3>,7|H<1>}	C[5,6](C[5,6]C[6,6a]C[5,6]H)(N[5,6]C[5,6]C[6])(H)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	104.2140	0.000	1	104.2140	0.000	1	104.2140	0.000	1	104.2140	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	4:3:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:N[5,6]-3:O[6]-2: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[5,6](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C)(O[6]C[6])(H)	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[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>}	102.3720	0.000	1	102.3720	0.000	1	102.3720	0.000	1	102.3720	0.000	1	104.4332	12.635	32	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:3:4:4:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH){1|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(CH3){4|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.0070	0.962	2	110.0070	0.925	2	110.0070	0.925	2	110.0070	0.925	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	3:4:2:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[6]O[5]H)(C[5]C[5]HH){1|O<2>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[6,6a]C[5])(C[6]O[6]HH)(O[5]C[5])(H){2|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]O[5]HH)(H)2{1|C<4>,1|H<1>,2|C<3>}	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	110.1610	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:2:1:	3:4:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:O[6]-2:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,5]O[6]H)(C[5]C[5]CH){1|S<2>,2|H<1>,5|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(O[6]S[6])(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,1|O<2>,4|C<3>}	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:3:1:	3:4:3:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,6](C[6,6a]C[6a,6a]C[6,6a])(C[5,6]C[5,5]C[6]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[6,6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]CH)(CC[6a]O)(H){1|H<1>,5|C<3>}	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	107.7640	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[5,6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6]C[5]2)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){2|O<1>,5|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	112.2860	0.000	1	112.2860	0.000	1	112.0600	0.038	3	112.0600	0.038	3	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.9470	0.000	2	111.9470	0.000	2	112.0600	0.038	3	112.0600	0.038	3	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	3:4:4:	4:3:4:1:	3:4:4:3:	C[6,6a]-3:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-4:C-3:	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO)	N[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(C[5]C[5]CC){2|C<3>,2|C<4>,6|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[6,6a]C[5])(C[5]C[5]HH)(H){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5]HH)(CF3)(COO){1|C<4>,2|C<3>,3|H<1>}	110.7410	0.000	2	110.7410	0.000	2	110.7410	0.000	2	110.7410	0.000	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6,6a]-3:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H)	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH){3|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[6,6a]C[5])(C[5,5]C[5]3)(H){2|O<1>,5|H<1>,6|C<3>}	C[5](N[5,6]C[6,6a]C[5,6])(C[5]C[5,5]HH)(H)2{1|H<1>,5|C<3>}	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	110.3800	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:3:1:	3:2:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:O[5]-2:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	104.9615	0.460	2	104.9615	0.212	2	104.9615	0.212	2	105.8600	2.528	3	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:3:1:	3:2:1:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:S[5]-2:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]S[5]HH){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]S[5]HH)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[5](N[5,6]C[5,6]C[6])(S[5]C[5])(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	107.6570	0.000	1	107.6570	0.000	1	107.6570	0.000	1	105.8600	2.528	3	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:3:4:	3:4:3:1:	3:2:4:1:	C[5,6]-4:C[6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:O[5]-2:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]O)(C[5]O[5]CH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[5,6](N[5,6]C[5]C[6])(C[5]O[5]CH)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CC3)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	110.0370	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:3:2:	3:4:4:4:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5]-4:C-4:C-4:	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5])	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2	N[5,6](C[5,6]C[6,6a]C[6a]O[5])(C[5]C[5]CC)(C[6]C[6]C){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[6a]C[6a]2)(O[5]C[5]){3|C<4>,5|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CH3)2{1|C<4>,3|C<3>}	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	110.3680	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:4:2:2:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-2:C-2:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CN)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H){3|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){2|C<2>,3|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]C[5]H)(CN)2{3|H<1>,5|C<3>}	109.4700	0.000	1	109.4700	0.000	1	110.4195	1.803	2	110.4195	1.803	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:4:2:2:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-2:C-2:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(CN)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HH)(H){1|N<3>,2|C<2>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HN)(CN)2{2|C<3>,4|H<1>}	111.3690	0.000	1	111.3690	0.000	1	110.4195	1.803	2	110.4195	1.803	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]H){1|C<4>,1|S<3>,2|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CS)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|S<3>,2|H<1>,3|C<3>}	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:2:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:O[5]-2:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5])	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5]C[6a]C[5]H)(C[6]C[6]O){3|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)(O[5]C[5]){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	109.1810	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:3:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[6]-4:N[5]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<3>,1|H<1>,1|O<1>,2|C<4>}	108.6480	0.000	1	108.6480	0.000	1	108.6480	0.000	1	108.6480	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5]CH)(C[6]C[6]H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5]C[5]CH)(C[6]C[6]H){2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]CH)(CC[6a]O)(H){2|H<1>,4|C<3>}	108.2450	0.000	2	108.2450	0.000	2	108.2450	0.000	2	108.2450	0.000	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	3:4:4:4:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]H){1|N<3>,2|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HN)(CH3){2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	111.7730	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:3:	4:3:3:4:	4:3:3:1:	C[5,6]-4:C[5]-4:C[6]-3:	C[5,5]-4:N[5,6]-3:C[6]-3:C-4:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]C[6a]H)(C[6]C[6]O)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5]C[5,5]C[6a]H)(C[6]C[6]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]N[6]O)(CH3){1|N<3>,2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(H){1|N<3>,2|C<4>,2|O<1>,3|H<1>,4|C<3>}	111.1710	0.000	1	111.1710	0.000	1	111.1710	0.000	1	111.1710	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:2:4:1:	3:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:	N[5,6]-3:O[6]-2:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[6,6a]C[6a]H)(C[5,6]C[5]O[6]H)(C[5]C[5]HH){1|N<2>,3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(O[6]C[6,6a])(C[5]C[5]HH)(H){3|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,4|H<1>}	105.2380	0.000	1	105.2380	0.000	1	105.2380	0.000	1	105.2380	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:2:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]CC)(CCH)(H){1|C<3>,1|C<4>,3|H<1>}	102.8160	0.000	1	102.8160	0.000	1	102.8160	0.000	1	104.9320	8.955	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:2:1:	3:4:3:1:	C[5,6]-4:C[5]-4:S[6]-4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H)	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(S[6]O[6]OO){2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]O[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|O<1>}	107.0480	0.000	1	107.0480	0.000	1	107.0480	0.000	1	104.9320	8.955	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:2:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:O[5]-2:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H)	N[5,6](C[5,6]C[6,6a]O[5]H)(C[5]C[5]CH)(C[6]C[6]HH){2|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(O[5]C[5])(H){2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]O[5]HH)(CCHH)(H){1|C<3>,1|C<4>,3|H<1>}	103.0255	0.159	2	103.0255	0.025	2	103.0255	0.025	2	103.0255	0.025	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:2:3:	3:3:4:4:	C[5,6]-4:C[5]-4:S[6]-4:	C[6,6a]-3:N[5,6]-3:O[5]-2:C-3:	N[5,6]-3:C[6a]-3:C[5]-4:C-4:	N[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[6a]C[5]C)(S[6]O[6]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH)	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]O[5]HH)(CCHH)	N[5,6](C[5,6]C[6,6a]O[5]C)(C[5]C[6a]C[5]C)(S[6]O[6]OO){2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(O[5]C[5])(CCH){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[6a]C[6a]2)(C[5]O[5]HH)(CCHH){1|O<2>,2|H<1>,2|O<1>,4|C<3>}	111.7390	0.000	1	111.7390	0.000	1	111.7390	0.000	1	111.7390	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:S[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(S[6]O[6]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]H)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(S[6]O[6]OO){1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]C)(H){1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]H)(H)2{1|H<1>,1|O<2>,2|C<3>,2|O<1>}	109.6260	0.091	2	109.6260	0.008	2	109.6260	0.008	2	109.9037	0.235	3	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:S[6]-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(S[6]O[6]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(H)2	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]HH)(S[6]O[6]OO){1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|O<2>,2|C<3>,3|H<1>,3|O<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(H)2{1|C<3>,1|H<1>,2|O<1>,2|O<2>}	110.4590	0.000	1	110.4590	0.000	1	110.4590	0.000	1	109.9037	0.235	3	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|C<3>,5|H<1>}	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	109.8460	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:3:3:3:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-3:H-1:	N[5,6]-3:C[5]-3:C-3:C-3:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(COO)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]H)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(COO)2{1|C<3>,1|C<4>,4|H<1>}	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	111.3240	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|S<4>,4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|C<3>,5|H<1>}	104.6000	0.000	1	104.6000	0.000	1	104.6000	0.000	1	110.3690	9.218	6	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:3:4:1:	C[5,6]-4:C[5]-4:S[6]-4:	C[5,6a]-3:C[6,6a]-3:N[5,6]-3:H-1:	C[5,6a]-3:N[5,6]-3:C-4:H-1:	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H)	N[5,6](C[5,6]C[5,6a]C[6,6a]H)(C[5]C[5,6a]CH)(S[6]O[6]OO){4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(H){1|C<4>,1|O<2>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]S[6])(CCHH)(H){1|O<2>,2|H<1>,2|O<1>,3|C<3>}	111.5583	1.429	4	111.5583	2.042	4	111.5583	2.042	4	110.3690	9.218	6	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:3:4:1:	C[5,6]-4:C[5]-4:S[6]-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-3:C-4:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO){1|O<1>,1|O<2>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>,3|O<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]O)(CH3)(H){1|C<3>,1|H<1>,2|O<1>,2|O<2>}	111.3810	0.000	1	111.3810	0.000	1	111.3810	0.000	1	110.3690	9.218	6	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:N[5,6]-3:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6]N[5,6]C[6a]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5]C[6])2(C[6a]C[6a]2)(H){1|C<4>,1|O<2>,2|C<3>,9|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	102.0350	0.190	2	102.0350	0.036	2	102.0350	0.036	2	102.0350	0.036	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(C[6]C[6]HH){1|S<4>,3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[6a]N[5]H)(COO)(H){1|C<4>,1|S<4>,3|C<3>,3|H<1>}	103.4150	0.000	1	103.4150	0.000	1	103.4150	0.000	1	103.4150	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:4:4:1:	C[5,6]-4:C[5]-4:S[6]-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H)	N[5,6](C[5,6]C[6,6a]N[5]H)(C[5]C[5]CH)(S[6]O[6]OO){1|S<4>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]N[5]HH)(CCHH)(H){1|C<3>,1|H<1>,1|O<2>,1|S<4>,2|O<1>}	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	109.2680	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:3:	3:3:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:C[6a]-3:	N[5,6]-3:C[6a]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H)	N[5,6](C[5,6]C[6,6a]C[6a]N[5])(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|O<1>,2|H<1>,7|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[6a]C[5])(C[6a]C[6a]2){1|C<4>,1|O<1>,6|H<1>,7|C<3>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]N[5]O)(H){1|C<4>,4|H<1>,5|C<3>}	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	109.4250	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2	N[5,6](C[5,6]C[6a]C[6]N[5])(C[5]C[5]HH)(C[6]C[6]HH){1|N<2>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,4|C<3>,8|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	101.3910	0.000	1	101.3910	0.000	1	101.3910	0.000	1	101.3910	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<3>,2|S<4>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]HS)(H){1|C<4>,1|S<4>,2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HS)(H)2{1|C<3>,1|C<4>,1|S<4>,4|H<1>}	105.1120	0.000	1	105.1120	0.000	1	105.1120	0.000	1	104.7548	1.279	4	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[3,6]CH)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[3,6]O)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	103.8605	0.251	2	103.8605	0.063	2	103.8605	0.063	2	104.7548	1.279	4	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:N[6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]N[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(N[6]C[6,6a]H)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<3>,5|H<1>}	106.1860	0.000	1	106.1860	0.000	1	106.1860	0.000	1	104.7548	1.279	4	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(C[6]C[6]HH){4|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]CH)(COO)(H){1|C<4>,2|C<3>,4|H<1>}	107.3030	0.000	1	107.3030	0.000	1	107.3030	0.000	1	110.0655	15.263	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:3:1:	C[5,6]-4:C[5]-4:S[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO){2|C<2>,2|C<3>,2|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CC)(H){1|O<2>,2|O<1>,3|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCH)(H){1|C<3>,1|H<1>,1|O<2>,2|C<2>,2|O<1>}	112.8280	0.000	1	112.8280	0.000	1	112.8280	0.000	1	110.0655	15.263	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5,6]-4:C[5]-4:S[6]-4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5]C[5]CH)(S[6]O[6]OO){3|C<3>,3|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(C[5]C[5]CH)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(CCHH)(H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	112.3330	0.000	1	112.3330	0.000	1	112.3330	0.000	1	112.3330	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	108.6210	0.000	1	110.9928	2.524	4	110.9928	2.524	4	110.9928	2.524	4	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	111.7833	0.188	3	110.9928	2.524	4	110.9928	2.524	4	110.9928	2.524	4	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:4:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CH3){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	106.0790	0.000	1	106.0790	0.000	1	106.7185	0.818	2	106.7185	0.818	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:3:4:4:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5a,6]-3:N[5,6]-3:C[5]-4:C-4:	N[5,6]-3:C[5]-3:H-1:H-1:	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2	N[5,6](C[5,6]C[5a,6]C[5]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(N[5,6]C[5]C[6])(C[5]C[5]CH)(CHHO){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]C)(H)2{1|C<3>,3|C<4>,3|H<1>}	107.3580	0.000	1	107.3580	0.000	1	106.7185	0.818	2	106.7185	0.818	2	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[6,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	C[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H)	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]HH)(C[6]C[6]HH){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[6]C)(N[5,6]C[5]C[6])(H){2|C<4>,3|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5,6]C[5,6]C[6])(H)2{2|C<3>,3|C<4>,4|H<1>}	105.5450	0.000	1	105.5450	0.000	1	105.5450	0.000	1	105.5450	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	3:4:4:1:	C[5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]O[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCCH)(H){1|C<4>,2|C<3>,4|H<1>}	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5]-4:N[5,6]-3:C-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(CN)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	110.5040	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5]-4:N[5,6]-3:C-3:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5,6]C[5,6]2)(COO)(H){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	109.5430	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,2|O<2>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]CH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	103.2980	0.000	1	103.2980	0.000	1	103.1654	0.109	5	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|O<2>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	103.4650	0.000	1	103.4650	0.000	1	103.1654	0.109	5	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|Br<1>,1|C<4>,1|O<2>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|Br<1>,1|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]BrH)(H)2{1|O<2>,2|C<4>,4|H<1>}	102.6220	0.000	1	102.6220	0.000	1	103.1654	0.109	5	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	103.3360	0.000	1	103.3360	0.000	1	103.1654	0.109	5	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){2|C<4>,3|O<2>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	103.1060	0.000	1	103.1060	0.000	1	103.1654	0.109	5	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|N<3>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]N[5]H)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,8|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	103.9352	0.656	5	103.9352	0.431	5	103.9352	0.431	5	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:S[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(S[6]N[6]OO)	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]HH)(S[6]N[6]OO){1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5]S[6])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2{1|C<4>,1|N<3>,2|O<1>,3|H<1>}	107.9290	0.000	1	107.9290	0.000	1	107.9290	0.000	1	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6a]C[6]H)(C[5]C[5]HH){1|C<4>,1|S<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]S[6]CC)(H){1|C<3>,1|C<4>,2|O<1>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	104.5640	0.320	3	104.5640	0.102	3	104.5640	0.102	3	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[5,6]HH)(C[5]C[5]HH){1|N<3>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){2|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	104.0210	0.000	1	104.0210	0.000	1	104.1050	0.014	2	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(C[5]C[5]HH){2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	104.1890	0.000	1	104.1890	0.000	1	104.1050	0.014	2	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:S[6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5,6]HH)	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5,6]C[5]C[6]2)(H)2	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5,6]HH){2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5,6]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](N[5,6]C[5,6]S[6])(C[5,6]C[5]C[6]2)(H)2{1|C<3>,2|O<1>,3|C<4>,7|H<1>}	111.2760	0.000	1	111.2760	0.000	1	111.2760	0.000	1	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:S[6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[5a,6]OO)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]CC)(H)2	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[5a,6]OO)(C[5]C[5]HH){1|C<3>,1|S<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]S[6])(C[6]C[5a,6]HH)(C[5]C[5]HH)(H){2|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]CC)(H)2{1|C<3>,1|C<4>,2|O<1>,3|H<1>}	111.0805	0.521	4	111.0805	0.272	4	110.4807	0.805	7	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:S[6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH){1|C<4>,2|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]CH)(H){2|C<3>,2|O<1>,4|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,2|H<1>,2|O<1>}	109.6880	0.000	1	109.6880	0.000	1	110.4807	0.805	7	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5,6]-4:S[6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2	N[5,6](C[5,6]C[5]C[6]H)(S[6]C[6,6a]OO)(C[5]C[5]HH){3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5]S[6])(C[6]C[6,6a]HH)(C[5]C[5]HH)(H){2|O<1>,3|C<3>,3|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[6a]C[5]H)(H)2{1|C<4>,2|O<1>,3|C<3>,3|H<1>}	109.6775	0.811	2	109.6775	0.658	2	110.4807	0.805	7	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,8|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	104.8770	0.000	1	105.2345	0.256	2	105.2345	0.256	2	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6,6]-4:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2	N[5,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<3>,1|C<4>,1|O<2>,9|H<1>}	C[5,6](N[5,6]C[6,6]C[5])(C[6]C[5,6,6]HO)(C[5]C[5]HH)(H){1|O<2>,3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6,6])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	105.5920	0.000	1	105.2345	0.256	2	105.2345	0.256	2	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[5,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	103.0070	0.000	1	103.0070	0.000	1	103.6455	0.815	2	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6]-4:C[5,6]-4:C[5]-4:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH)	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[6]C[5a,6]C[6a]H)(C[5,6]C[5]C[6]H)(C[5]C[5]HH){1|N<2>,1|N<3>,2|C<3>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]N[5a,6]HH)(C[5]C[5]HH)(H){1|N<2>,2|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,4|H<1>}	104.2840	0.000	1	104.2840	0.000	1	103.6455	0.815	2	105.9905	9.907	28	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:2:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-2:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<2>,1|C<4>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CC)(H){1|O<2>,2|C<4>,4|H<1>}	104.5760	0.000	1	104.5760	0.000	1	104.5760	0.000	1	104.5760	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]CH){1|C<4>,2|O<1>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){1|O<1>,3|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HO)(CHHO)(H){1|O<1>,3|C<4>,3|H<1>}	107.5975	0.608	4	107.5975	0.370	4	107.5975	0.370	4	107.5975	0.370	4	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	3:4:4:3:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,1|O<1>,7|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HH)(C[6]C[6]HO)(CCO){1|C<4>,8|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	107.2450	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2	N[5,6](C[5,6]N[5,6]HH)(C[5]C[5]HH)(C[6]C[6]HH){1|C<4>,5|H<1>}	C[5,6](N[5,6]C[5]C[6]H)(N[5,6]C[5]C[6])(H)2{1|C<4>,8|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]N[5,6]HH)(H)2{2|C<4>,5|H<1>}	102.7520	0.630	6	102.7520	0.397	6	102.7520	0.397	6	103.2669	2.186	7	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:1:1:	3:4:1:1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:Br-1:H-1:	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]BrH)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]BrH)(Br)(H)	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]BrH){1|Br<1>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{2|Br<1>,2|C<3>,2|H<1>,2|O<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]BrH)(Br)(H){2|C<3>,2|O<1>,3|H<1>}	106.3560	0.000	1	106.3560	0.000	1	106.3560	0.000	1	103.2669	2.186	7	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:1:1:	3:4:4:1:	C[5,6]-4:S[6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:H-1:H-1:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]CH)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H)	N[5,6](C[5,6]C[5,6]HH)(S[6]C[6,6a]OO)(C[5]C[5]CH){2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5]S[6])(H)2{1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[5](N[5,6]C[5,6]S[6])(C[5]C[5,6]HH)(CH3)(H){2|C<3>,2|O<1>,3|H<1>}	102.0910	0.000	1	102.0910	0.000	1	102.0910	0.000	1	102.0910	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:N[6]-3:H-1:	N[5,6]-3:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH)	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H)	C[5](N[5,6]C[6,6a]C[5,6])(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,6]N[6]H)(C[6]C[6,6a]HH)(C[5]N[5,6]HH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5,6](C[5,6]N[5,6]N[6]H)(N[5,6]C[5]C[6])(N[6]C[6,6a]C)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](N[5,6]C[6,6a]C[5,6])(N[5,6]C[5,6]C[6])(H)2{2|N<3>,3|C<3>,4|H<1>}	103.7350	0.000	1	103.7350	0.000	1	103.7350	0.000	1	103.7350	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:C[5,5]-3:N[5,6]-3:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|N<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,6](C[5,6]C[5,6]O[5]H)(C[5,5]C[5,5]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,3|C<4>,6|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|N<2>,1|O<2>,2|C<4>,5|H<1>}	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.6100	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5]-4:N[5,6]-3:C-4:H-1:	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H)	N[5,6](C[5,6]C[5,5]C[5,6]H)(C[5]C[5,5]CH)(C[6]C[6]HH){1|C<4>,1|N<2>,2|O<2>,4|H<1>}	C[5,6](C[5,5]C[5,5]O[5]H)(C[5,6]C[5,6]N[5])(N[5,6]C[5]C[6])(H){2|O<2>,4|H<1>,5|C<4>}	C[5](C[5,5]C[5,5]O[5]H)(N[5,6]C[5,6]C[6])(CCHO)(H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	104.6240	0.000	1	104.6240	0.000	1	104.6240	0.000	1	104.6240	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:4:1:	3:2:4:4:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:O[5]-2:C-4:C-4:	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2	N[5,6](C[5,6]C[5]C[6]H)(C[5]O[5]CC)(C[6]C[6]HH){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){2|C<3>,3|C<4>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(O[5]C[5])(CH3)2{1|C<3>,2|C<4>,4|H<1>}	105.6870	0.000	1	105.6870	0.000	1	105.6870	0.000	1	105.6870	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	105.3422	0.399	4	105.5511	0.417	15	105.5511	0.417	15	105.2037	0.777	20	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]2)(C[5]C[5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	105.6271	0.716	11	105.5511	0.417	15	105.5511	0.417	15	105.2037	0.777	20	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,6]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2	N[5,6](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(C[6]C[6]HH){1|C<2>,1|C<4>,2|S<2>,5|H<1>}	C[5,6](C[5,6]C[5]S[6]2)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){3|C<4>,8|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,6]HH)(H)2{2|C<4>,2|S<2>,3|H<1>}	104.4080	0.000	1	104.4080	0.000	1	104.4080	0.000	1	105.2037	0.777	20	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:4:1:	3:4:1:1:	C[5,6]-4:C[6]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[6]C[6,6]HH)(C[5]C[5]HH){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5]C[6])(C[6]C[6,6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5,5]HH)(H)2{2|C<3>,2|C<4>,3|H<1>}	104.1000	0.730	4	104.1000	0.532	4	104.1000	0.532	4	105.2037	0.777	20	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:N[5,6]-3:H-1:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]HH)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,7|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	105.7510	0.000	1	105.7510	0.000	1	105.7510	0.000	1	105.7510	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:4:1:	4:3:4:3:	C[5,6]-4:C[5]-4:C[6]-4:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	C[5,5]-4:N[5,6]-3:C-4:C-3:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(CCHH)(COO)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5]C[5,5]CC)(C[6]C[6]HH){1|C<4>,2|C<3>,6|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[6])(CCHH)(COO){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	108.0120	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:4:3:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	C[5]-4:N[5,6]-3:C[6]-4:C-3:	N[5,6]-3:C[4]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH)	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO)	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5]C[4]C[5]H)(C[6]C[6,6a]HH){1|C<4>,2|N<3>,3|C<3>,5|H<1>}	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5]C[6])(C[6]C[6,6a]HH)(COO){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[4]C[4]N[4]H)(C[5]C[5]HN)(H){1|C<4>,4|H<1>,6|C<3>}	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5]	4:4:4:	4:3:4:3:	4:3:3:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6]-4:C-3:	C[5,5]-4:N[5,6]-3:C[6a]-3:H-1:	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]C[6a]H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]C[6a]H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]2)(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,3|C<4>,4|C<3>,4|H<1>}	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	111.5510	0.000	1	107.0312	10.113	135	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:3:	3:3:4:1:	3:4:2:4:	C[5,6]-4:C[5]-4:C[6]-3:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[6a]C[5]H)(C[6]C[6]O)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3)	N[5,6](C[5,6]C[6]O[5]C)(C[5]C[6a]C[5]H)(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(O[5]C[5])(CH3){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	108.6330	0.000	1	104.0293	4.997	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6a]-3:O[5]-2:H-1:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H)	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]O[5]H)(C[6]C[6]HH){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(O[5]C[5])(H){1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5,6](C[5]C[6a]O[5]H)(N[5,6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,3|C<3>,5|H<1>}	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	103.3220	0.000	1	104.0293	4.997	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:4:	3:3:3:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(N[5]C[5]C)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){2|C<3>,2|C<4>,6|H<1>}	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[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|C<3>,2|C<4>,5|H<1>}	103.5960	0.000	1	103.5960	0.000	1	103.5960	0.000	1	103.5960	0.000	1	104.0293	4.997	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:4:	3:3:4:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[6a]-3:C[5]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH)	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]C[5]H)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]N[6]H)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,7|H<1>}	104.7530	0.000	1	104.7530	0.000	1	104.7530	0.000	1	104.7530	0.000	1	104.0293	4.997	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:4:	3:4:3:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:N[5]-4:C[6a]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH)	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[6a]N[5]H)(C[6]C[6]HH){1|Al<4>,2|C<3>,2|C<4>,6|H<1>}	C[5](N[5,6]C[5,6]C[6])(N[5]C[5]AlC)(C[6a]C[6a]2)(H){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]N[5]HH)(C[6]C[6]HH)(H){1|Al<4>,1|C<3>,2|C<4>,5|H<1>}	102.1015	0.190	2	102.1015	0.036	2	102.1015	0.036	2	102.1015	0.036	2	104.0293	4.997	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5,6]	C[5]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH)	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H)	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)(C[5]C[5]CH)(C[6]C[6]HH){1|C<4>,1|O<2>,7|H<1>}	C[5](N[5,6]C[5,6]C[6])(C[5]C[5]HH)(CCHO)(H){1|O<2>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[5]C[5]HO)(C[6]C[6]HH)(H){2|C<4>,7|H<1>}	103.6980	0.000	1	103.6980	0.000	1	103.6980	0.000	1	103.6980	0.000	1	104.0293	4.997	7	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[3x5,6]	C[5]	4:4:4:	4:4:3:3:	4:3:1:1:	C[3x5,6]-4:C[5]-4:C-4:	C[3x5,6]-4:C[5,5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2	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[5](C[5]C[3x5,6]HH)(N[5]C[3x5,6]C)(H)2{2|C<3>,2|C<4>}	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:1:	4:3:4:3:	4:3:3:1:	C[3x5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	N[5](C[3x5]C[5,5,6]C[5,6a]C[5,5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,7|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]H){1|C<4>,1|O<1>,5|H<1>,6|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	110.2757	0.698	3	110.2757	0.487	3	110.2757	0.487	3	110.2757	0.487	3	108.1771	3.787	17	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:1:	4:4:3:3:	4:3:3:1:	C[3x5]-4:C[5]-4:H-1:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H)	N[5](C[3x5]C[5,5,6]C[5,5]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,6|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]H){1|C<4>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[3x5]H)(H){2|C<4>,2|H<1>,6|C<3>}	109.1540	1.348	2	109.1540	1.816	2	109.1540	1.816	2	109.1540	1.816	2	108.1771	3.787	17	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[3x5]-4:C[5]-4:S-4:	C[3x5]-4:C[5]-3:N[5]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)(SC[6a]OO)	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)	C[5](C[5]C[3x5]HH)(N[5]C[3x5]S)(H)2	N[5](C[3x5]C[3x5]C[5]N[5])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|H<1>,4|C<3>}	C[3x5](C[3x5]C[5,6a]C[5]2)(C[5]C[6a]C[5])(N[5]C[5,6a]H)(N[5]C[5]S){1|C<4>,4|C<3>,6|H<1>}	C[5](C[5]C[3x5]HH)(N[5]C[3x5]S)(H)2{1|C<4>,1|N<3>,2|C<3>}	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	108.9430	0.000	1	108.1771	3.787	17	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:4:	4:3:4:3:	4:3:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	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[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	105.5550	0.000	1	105.5550	0.000	1	105.1513	0.204	3	105.1513	0.204	3	108.1771	3.787	17	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:4:	4:3:4:3:	4:3:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,6a]-3:C[5,5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	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[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	104.9495	0.404	2	104.9495	0.163	2	105.1513	0.204	3	105.1513	0.204	3	108.1771	3.787	17	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:4:	4:4:3:3:	4:3:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2	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[5](C[5]C[5,5,6]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	107.2355	0.278	2	107.2355	0.077	2	107.5952	2.281	5	108.1849	2.030	8	108.1771	3.787	17	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:4:	4:4:3:3:	4:3:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2	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[5](C[5]C[5,5,6]C[6a]H)(N[5]C[3x5]C)(H)2{2|C<4>,4|C<3>}	107.8350	2.075	3	107.8350	4.307	3	107.5952	2.281	5	108.1849	2.030	8	108.1771	3.787	17	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:4:	4:4:3:3:	4:3:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	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[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	108.7750	0.000	1	109.1677	0.227	3	109.1677	0.227	3	108.1849	2.030	8	108.1771	3.787	17	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[3x5]	C[5]	4:4:4:	4:4:3:3:	4:3:1:1:	C[3x5]-4:C[5]-4:C-4:	C[5,5]-4:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2	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[5](C[5]C[5,5]HH)(N[5]C[3x5]C)(H)2{2|C<3>,2|C<4>}	109.3640	0.472	2	109.1677	0.227	3	109.1677	0.227	3	108.1849	2.030	8	108.1771	3.787	17	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5,6,6]	C[5]	4:4:4:	4:4:4:3:	3:4:1:1:	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:C[5]-4: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[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2	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[5](N[5]C[5,5,6,6]C)(C[5]C[5,6,6]HH)(H)2{1|C<3>,3|C<4>}	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	109.0380	0.000	1	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:3:	4:3:4:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C-3:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCO)	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[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	N[5](C[5,5,6]C[5,5,6]C[6]N[5])(C[5]C[5]HH)(CCO){2|C<4>,3|C<3>,4|H<1>}	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){2|C<3>,2|C<4>,7|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>}	104.3970	0.000	1	104.3970	0.000	1	104.3970	0.000	1	104.3970	0.000	1	104.9364	1.543	14	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	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:	C[5]-4:N[5]-3: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[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	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[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<4>,3|C<3>}	105.1790	0.000	1	105.2887	0.115	4	105.2887	0.115	4	105.2887	0.115	4	104.9364	1.543	14	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	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:	C[5]-4:N[5]-3: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[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2	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[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]C)(H)2{1|C<4>,3|C<3>}	105.3253	0.405	3	105.2887	0.115	4	105.2887	0.115	4	105.2887	0.115	4	104.9364	1.543	14	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:4:	4:3:4:3:	4:3:1:1:	C[5,5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:N[5]-3:C[6]-4:N[5]-3:	C[5]-4:N[5]-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[5](C[5]C[5,5,6]HH)(N[5]C[5,5,6]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[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>}	103.0630	0.000	1	103.0630	0.000	1	103.0630	0.000	1	103.0630	0.000	1	104.9364	1.543	14	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5,6]	C[5]	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:N[5]-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[5](N[5]C[5,5,6]C)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[5](N[5]C[5,5,6]C)2(H)2{2|C<4>,2|H<1>}	104.2040	0.000	1	104.2040	0.000	1	104.2040	0.000	1	104.2040	0.000	1	104.9364	1.543	14	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:4:	4:4:3:2:	4:3:4:1:	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:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	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[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	103.5773	0.241	3	103.5773	0.058	3	104.4183	2.867	4	104.4183	2.867	4	104.9364	1.543	14	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:4:	4:4:3:2:	4:3:4:1:	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:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H)	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[5](C[5]C[6a]O[5]H)(N[5]C[5,5,6]C)(CH3)(H){2|C<3>,2|C<4>}	106.9410	0.000	1	106.9410	0.000	1	104.4183	2.867	4	104.4183	2.867	4	104.9364	1.543	14	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:4:	4:4:4:3:	4:3:1:1:	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:	C[5]-4:N[5]-3: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[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2	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[5](C[5]C[4,5,5,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	105.7130	0.000	1	105.7130	0.000	1	105.7130	0.000	1	106.2057	0.186	3	104.9364	1.543	14	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5,6]	C[5]	4:4:4:	4:4:4:3:	4:3:1:1:	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:	C[5]-4:N[5]-3: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[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2	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[5](C[5]C[5,5,6,6]HH)(N[5]C[5,5,6]C)(H)2{4|C<4>}	106.4520	0.092	2	106.4520	0.008	2	106.4520	0.008	2	106.2057	0.186	3	104.9364	1.543	14	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5,5]	4:4:1:	3:4:3:3:	3:3:4:3:	C[5,5]-4:C[5,5]-4:H-1:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)2(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)2(H){2|N<3>,2|O<1>,3|H<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(N[5]C[5,5]H)(C[5]N[5]O){1|C<4>,3|H<1>,6|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(C[5]C[5]HH)(C[5]N[5]O){1|C<4>,2|H<1>,5|C<3>}	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	111.3100	0.000	1	110.1780	1.615	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5,5]	4:4:4:	3:4:3:3:	3:3:3:3:	C[5,5]-4:C[5,5]-4:C-4:	C[5,6a]-3:C[5]-4:N[5]-3:C[5]-3:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	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[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)	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[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>}	109.0840	0.235	2	109.0840	0.055	2	109.0840	0.055	2	109.0840	0.055	2	110.1780	1.615	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5,5]	4:4:4:	4:3:3:2:	4:3:3:4:	C[5,5]-4:C[5,5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:S[5]-2:	C[5,5]-4:N[5]-3:C[5]-3:C-4:	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[5,5](C[5,5]C[5,5]C[5]C)(N[5]C[5,5]C)(C[5]O[5]O)(CH3)	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[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>}	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	111.2340	0.000	1	110.1780	1.615	4	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:3:2:	3:4:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:O[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5])	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2	N[5](C[5,5]C[5,6a]C[5]O[5])(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]O[5]CH)(H)2{4|C<3>}	106.9280	0.000	1	106.9280	0.000	1	106.9280	0.000	1	106.9280	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:3:3:	4:3:3:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5]-3:C[5]-3:C[5]-3:	C[5]-4:N[5]-3:C[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(C[5]C[5]2H){1|O<1>,2|N<3>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]C)(C[5]N[5]O){1|N<3>,2|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[5,5]C[6a])(C[5]C[5]N)(H){1|N<3>,1|O<1>,7|C<3>}	111.6890	0.000	1	111.6890	0.000	1	111.6890	0.000	1	111.6890	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:3:4:1:	3:3:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[5,5]-4:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H)	C[5](N[5]C[5,5]C[6a])2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[5,5](N[5]C[6a]C[5])2(C[5,5]N[5]2H)(H){4|H<1>,6|C<3>}	C[5](N[5]C[5,5]C[6a])2(H)2{2|H<1>,2|N<3>,4|C<3>}	106.3740	4.196	2	106.3740	17.606	2	106.3740	17.606	2	106.3740	17.606	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	3:4:3:1:	3:4:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	N[5](C[5,5]C[5,6a]N[5,5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|B<4>,4|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[6a]C[5])(H){2|O<2>,4|C<3>,5|H<1>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|B<4>,2|H<1>,3|C<3>}	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:3:4:	4:3:3:1:	3:4:1:1:	C[5,5]-4:C[6a]-3:C[5]-4:	P[5]-4:N[5,5]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H)	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2	N[5](C[5,5]N[5,5]P[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,4|C<3>,4|H<1>}	C[5,5](P[5]C[5,6a]C[3x6]2)(N[5,5]C[5,6a]C[5])(N[5]C[6a]C[5])(H){4|C<3>,4|H<1>,6|C<4>}	C[5](N[5]C[5,5]C[6a])(C[5]N[5,5]HH)(H)2{1|H<1>,1|P<4>,3|C<3>}	107.2990	0.000	1	107.2990	0.000	1	107.2990	0.000	1	107.2990	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:3:3:1:	4:3:4:4:	C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CC)(H)	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H)	C[5](C[5]N[5,5]CC)(N[5]C[5,5]H)(CH3)2	N[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CC)(H){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H){1|N<3>,4|C<4>}	C[5](C[5]N[5,5]CC)(N[5]C[5,5]H)(CH3)2{1|H<1>,1|N<3>,1|O<2>}	108.0990	0.572	4	108.0990	0.327	4	108.0990	0.327	4	108.0990	0.327	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:3:3:2:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:N[5]-3:S[5]-2:	C[5a]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5a]C[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)(S[5]C[5])	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H)	N[5](C[5,5]C[5,6a]C[5]S[5])(C[5]C[5a]C[5]H)(H){1|N<2>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)(S[5]C[5]){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5a]N[5a]2)(N[5]C[5,5]H)(C[5]S[5]HH)(H){1|C<4>,2|C<3>,2|N<2>}	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.7830	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:3:3:3:	3:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,6|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]H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]C)(H){2|H<1>,5|C<3>}	111.4000	0.000	1	111.4000	0.000	1	111.4000	0.000	1	111.4000	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:3:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[5]-3:N[5]-3:	C[5,6]-3:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CH)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CCHH)(H){1|O<1>,4|C<3>}	109.2450	0.000	1	109.2450	0.000	1	109.8715	0.785	2	109.9717	0.423	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:3:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-3:C[5]-3:N[5]-3:	C[5,6]-3:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[5,6]CH)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]C[6])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5,5]H)(CC[6a]HH)(H){1|O<1>,4|C<3>}	110.4980	0.000	1	110.4980	0.000	1	109.8715	0.785	2	109.9717	0.423	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:3:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5,6a]CH)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])2(C[5]N[5]O)(N[5]C[5]H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5,5]H)(CF3)(H){1|H<1>,4|C<3>}	110.1720	0.000	1	110.1720	0.000	1	110.1720	0.000	1	109.9717	0.423	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:3:3:3:	4:3:3:3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5,5]H)(COO)2	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[5]CC)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5,5]H)(COO)2{5|C<3>}	109.0595	2.529	2	109.0595	6.397	2	109.0595	6.397	2	109.0595	6.397	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)	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]H)	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H){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]H){1|N<2>,2|C<4>,3|C<3>,3|H<1>}	C[5](N[5]C[5,5]H)(C[5]C[5]2H)(CC[6a]HH)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	107.8920	0.000	1	107.8920	0.000	1	107.4680	0.360	2	107.4680	0.360	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:3:4:3:	3:4:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]N[6a])(C[5]C[6a]C[5]H)(N[5]C[5]H)	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H)	N[5](C[5,5]C[5,6a]2C[5])(C[5]C[5]CH)(H){1|N<2>,1|N<3>,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[6a]C[5]H)(N[5]C[5]H){1|C<4>,1|N<2>,1|N<3>,3|H<1>,5|C<3>}	C[5](N[5]C[5,5]H)(C[5]C[5]HN)(CC[5a]HH)(H){1|H<1>,3|C<3>}	107.0440	0.000	1	107.0440	0.000	1	107.4680	0.360	2	107.4680	0.360	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:1:	3:3:2:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(H){1|C<4>,1|H<1>,4|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]H)(H){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	102.8345	0.483	2	102.8345	0.233	2	102.8345	0.233	2	102.8345	0.233	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:1:	3:3:3:3:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:C-3:C-3:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(COO)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]CC)(H){1|H<1>,1|N<3>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]N[5]H)(N[5]C[5]H)(H){1|H<1>,1|S<4>,5|C<3>}	C[5](C[5]C[5,5]C)(N[5]C[5,5]H)(COO)2{1|C<3>,1|N<3>,2|H<1>}	106.6270	1.474	2	106.6270	2.172	2	106.6270	2.172	2	106.6270	2.172	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:1:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	105.7050	0.000	1	105.7050	0.000	1	105.7050	0.000	1	105.7050	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:1:	3:3:4:4:	C[5,5]-4:C[5]-4:H-1:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H)	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2	N[5](C[5,5]N[5,5]C[5]H)(C[5]C[5]CC)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]H)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	108.6185	1.336	2	108.6185	1.784	2	108.6185	1.784	2	108.6185	1.784	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]HH)(H){1|B<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|O<2>,5|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(H)2{1|B<4>,1|C<3>,2|H<1>}	104.5915	0.180	2	104.5915	0.033	2	104.5915	0.033	2	104.5915	0.033	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:1:	4:3:4:4:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5,5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H)	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CH3)2	N[5](C[5,5]C[5,6a]N[5,5]H)(C[5]C[5]CC)(H){1|B<4>,2|C<3>,3|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]B[5,5]C[5]H)(N[5]C[5]H)(H){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[5](C[5]N[5,5]HH)(N[5]C[5,5]H)(CH3)2{1|B<4>,1|C<3>,2|H<1>}	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	106.3470	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:2:	3:4:4:4:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[3,5]-4:N[5]-3:O[5]-2:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]CC)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5])	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CH3)2	N[5](C[5,5]C[5,6a]C[3,5]O[5])(C[5]C[5]CC)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]O[3]C)(N[5]C[5]H)(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CH3)2{1|C<3>,1|C<4>}	109.2350	0.000	1	109.2350	0.000	1	109.2350	0.000	1	109.2350	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	3:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[3,5]-4:C[5]-3:N[5]-3:	N[3,5]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]N[3,5]C[6a]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H)	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[3,5]C[5])(C[5]N[3,5]C[6a]H)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[3,5]N[3,5]C[3]C)(C[5]N[5]O)(N[5]C[5]H){4|C<3>,4|H<1>}	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,3|H<1>,5|C<3>}	105.6390	0.000	1	105.6390	0.000	1	105.6390	0.000	1	105.6390	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,3|H<1>,5|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]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HH)(H){3|H<1>,5|C<3>}	109.2800	0.000	1	109.2800	0.000	1	110.4970	1.003	4	110.4970	1.003	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|C<3>}	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]H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]2H)(H){1|C<4>,1|N<2>,3|H<1>,5|C<3>}	110.5860	0.658	2	110.5860	0.432	2	110.4970	1.003	4	110.4970	1.003	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|O<1>,2|H<1>,2|N<3>,5|C<3>}	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]H){1|C<4>,1|N<3>,3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){3|H<1>,5|C<3>}	111.5360	0.000	1	111.5360	0.000	1	110.4970	1.003	4	110.4970	1.003	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|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]H){1|O<1>,6|C<3>,6|H<1>}	C[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	107.9510	0.000	1	107.9510	0.000	1	107.9510	0.000	1	109.2688	1.174	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|O<1>,7|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]H){1|N<3>,1|O<1>,5|H<1>,6|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	110.6920	0.000	1	110.6920	0.000	1	109.6895	2.010	2	109.2688	1.174	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,6]C[5])(C[5]C[6a]C[5]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,6|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]H){1|N<3>,1|O<1>,5|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,2|H<1>,7|C<3>}	108.6870	0.000	1	108.6870	0.000	1	109.6895	2.010	2	109.2688	1.174	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H)	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]H)	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(H){1|N<3>,1|O<1>,2|H<1>,6|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]H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){3|H<1>,7|C<3>}	109.9980	0.000	1	109.9980	0.000	1	109.9980	0.000	1	109.2688	1.174	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	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]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(COO)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){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]H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(COO)(H){1|H<1>,5|C<3>}	109.0160	0.000	1	109.0160	0.000	1	109.0160	0.000	1	109.2688	1.174	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H)	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]H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[5]CH)(H){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]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]H)(CF3)(H){1|C<4>,5|C<3>}	109.1200	0.000	1	109.1200	0.000	1	109.1200	0.000	1	108.1785	0.876	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	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]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){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]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,5|C<3>}	108.6130	0.000	1	108.6130	0.000	1	107.8647	0.723	3	108.1785	0.876	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	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]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){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]H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CF3)(H){1|H<1>,5|C<3>}	108.0410	0.000	1	108.0410	0.000	1	107.8647	0.723	3	108.1785	0.876	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:3:3:	4:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H)	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]H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]CH)(H){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]H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]H)(CHHO)(H){1|H<1>,5|C<3>}	106.9400	0.000	1	106.9400	0.000	1	107.8647	0.723	3	108.1785	0.876	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	3:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:H-1:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)2(N[5]C[5]H)	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(H){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]H){1|P<3>,2|C<3>,6|H<1>}	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.5870	3.581	2	107.5870	12.822	2	107.5870	12.822	2	107.5870	12.822	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:3:2:2:	3:4:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:O[5]-2:O[5]-2:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H)	C[5,5](C[5]C[5]CC)(N[5]C[5]H)(O[5]C[5])(O[5]N[5])	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H)	N[5](C[5,5]C[5]O[5]2)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<4>}	C[5,5](C[5]C[5]CC)(N[5]C[5]H)(O[5]C[5])(O[5]N[5]){1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5,5]H)(C[5]O[5]HH)(CCCH)(H){1|C<4>,1|O<2>}	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	109.0700	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(H){3|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]H)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(COO)(H){1|C<3>,1|N<3>,2|H<1>}	109.2075	0.855	2	109.2075	0.731	2	109.2075	0.731	2	109.2075	0.731	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:3:3:3:	3:2:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	N[5]-3:O[5]-2:C-4:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]O[5]CH)(H){1|N<3>,1|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[5](N[5]C[5,5]H)(O[5]C[5,5])(CCCH)(H){4|C<3>}	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	107.9490	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:3:3:3:	3:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H)	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H)	N[5](C[5,5]C[5,6a]C[5,5]C[5])(C[5]C[6a]N[5]H)(H){1|N<2>,1|N<3>,1|O<1>,6|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N[5])(C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5,5]C[6a])(N[5]C[5,5]H)(H){1|H<1>,8|C<3>}	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	106.0810	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:3:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[3x5,6]-4:C[5]-3:N[5]-3:C-3:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[3x5,6]C[5]C)(C[5]C[5,6]C[6a]H)(H)	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]O)(N[5]C[5]H)(COO)	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	N[5](C[5,5]C[3x5,6]C[5]C)(C[5]C[5,6]C[6a]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,5](C[3x5,6]C[5,5,6]C[5,6]C[5])(C[5]O[5]O)(N[5]C[5]H)(COO){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5,6]C[3x5,6]C[6,6a]H)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	111.3670	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:3:3:3:	4:3:4:1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]CH)(H)	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H)	N[5](C[5,5]C[5,5]C[5]2)(C[5]C[5,5]CH)(H){2|H<1>,2|O<1>,4|C<3>}	C[5,5](C[5,5]C[5,5]C[5]H)(C[5]C[5,6a]O)2(N[5]C[5]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5,5]H)(CC[6a]HH)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.3550	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:4:3:2:	4:3:1:1:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-2:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H)	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(H)2	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]HH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]H)(C[5]C[5,6a]CH)(N[5]C[5]H)(CN){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]H)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	108.0240	0.000	2	108.0240	0.000	2	108.0240	0.000	2	108.0240	0.000	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:4:3:3:	3:3:4:1:	C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5,6a]HH)(C[5]C[5,6a]O)(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H){1|N<3>,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)(C[5]C[5,6a]O)(N[5]C[5]H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	110.0710	3.093	2	110.0710	9.566	2	108.2894	11.173	5	108.2894	11.173	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:4:3:3:	3:3:4:1:	C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	105.0620	0.000	1	105.0620	0.000	1	108.2894	11.173	5	108.2894	11.173	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:4:3:3:	3:3:4:1:	C[5]-4:C[5,5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	C[6a]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H)	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H)	N[5](C[5]C[6a]C[5]H)(C[5,5]C[5]3)(H){1|C<4>,1|O<1>,2|N<3>,3|H<1>,4|C<3>}	C[5,5](C[5]C[6a]C[5]H)2(C[5]N[5]O)(N[5]C[5]H){1|N<3>,5|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]H)(C[5]C[5]HN)(H){1|C<4>,3|H<1>,4|C<3>}	108.1215	4.279	2	108.1215	18.307	2	108.2894	11.173	5	108.2894	11.173	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:1:	4:4:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(H)	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H)	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[5,5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(C[5]N[5]O)(N[5]C[5]H){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	C[5](N[5]C[5,5]H)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	105.2940	0.000	1	105.2940	0.000	1	105.2940	0.000	1	105.2940	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:2:	4:3:3:1:	3:3:4:4:	C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]CC)(OH)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H)	C[5](C[5]N[5,5]O)(N[5]C[5,5]O)(CH3)2	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]CC)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]O)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]O)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	105.2970	0.000	1	105.2970	0.000	1	105.2970	0.000	1	105.2970	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:2:	4:3:3:4:	4:3:4:1:	C[5,5]-4:C[5]-4:O-2:	C[5,5]-4:C[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(OC)	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(N[5]C[5]O)(CH3)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H)	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[5]CH)(OC){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2C)(C[5]C[5]H)(N[5]C[5]O)(CH3){1|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]O)(CC[6a]HH)(H){2|C<3>,2|C<4>}	105.7300	0.000	1	105.7300	0.000	1	105.7300	0.000	1	105.7300	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:3:3:3:	3:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,6a]-3:N[5,5]-3:C[5]-3:N[5]-3:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]N[5,5]C[6a]H)(COO)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C)	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	N[5](C[5,5]C[5,6a]N[5,5]C[5])(C[5]N[5,5]C[6a]H)(COO){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5,5]N[5,5]C[5])(C[5]N[5]O)(N[5]C[5]C){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](N[5,5]N[5,5]C[5])(C[6a]C[6a]2)(N[5]C[5,5]C)(H){1|C<4>,4|H<1>,5|C<3>}	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	110.5310	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:3:3:3:	3:3:4:1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H)	N[5](C[5,5]C[5,6a]C[5]N[5])(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,3|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]N[5]O)(N[5]C[5]H){1|C<4>,2|H<1>,7|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]N[5]CC)(H){3|H<1>,6|C<3>}	106.3655	0.013	2	106.3655	0.000	2	106.3655	0.000	2	106.3655	0.000	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	3:3:4:3:	3:3:4:1:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[6a]C[5]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5]CC)(C[5]N[5]O){5|C<3>,5|H<1>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(C[5]C[5]HH)(H){2|H<1>,8|C<3>}	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.5790	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:2:1:	3:3:1:1:	C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:O[5]-2:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(NOO)	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H)	C[5](N[5]C[5,5]N)2(H)2	N[5](C[5,5]C[5,5]O[5]H)(C[5]N[5]HH)(NOO){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[5,5](C[5,5]N[5]O[5]H)(N[5]C[5]N)(O[5]C[5])(H){1|N<3>,1|O<1>,2|H<1>}	C[5](N[5]C[5,5]N)2(H)2{2|H<1>,2|O<2>}	115.3875	0.295	2	115.3875	0.087	2	115.3875	0.087	2	115.3875	0.087	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:N-3:	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]HH)(NOO)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H)	C[5](N[5]C[5,5]N)2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<3>,1|H<1>,3|N<3>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H){1|N<3>,1|O<1>,3|H<1>}	C[5](N[5]C[5,5]N)2(H)2{2|H<1>,2|N<3>}	112.2040	0.000	1	113.3236	6.424	5	113.3236	6.424	5	113.3236	6.424	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:N-3:	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]HH)(NOO)	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H)	C[5](N[5]C[5,5]N)2(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]N[5]HH)(NOO){1|C<4>,1|H<1>,3|N<3>}	C[5,5](C[5,5]N[5]2H)(N[5]C[5]N)2(H){2|N<3>,4|H<1>}	C[5](N[5]C[5,5]N)2(H)2{2|H<1>,2|N<3>}	113.6035	2.836	4	113.3236	6.424	5	113.3236	6.424	5	113.3236	6.424	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(NCH)	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[5](C[5]C[5,5]HH)(N[5]C[5,5]N)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(NCH){2|C<3>,2|C<4>,2|H<1>}	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[5](C[5]C[5,5]HH)(N[5]C[5,5]N)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	107.2180	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5,6]-4:C[5,5a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO)	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(COO)(H)	N[5](C[5,5]C[5,5,6]C[5,5a]H)(C[5]C[5]CH)(COO){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,5](C[5,5,6]C[5,6]C[5]C[6])(C[5,5a]C[5,5a]O[5a])(N[5]C[5]C)(H){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|H<1>,2|C<4>}	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	112.9470	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:3:	4:4:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-3:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CNN)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(CNN){2|C<4>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<3>,7|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(CNO)(H){2|C<4>,2|H<1>}	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:3:3:	3:3:1:1:	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:C[5]-3: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[5](N[5]C[5,5]C)(C[5]C[5]C)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]C)(H)2{3|C<3>}	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	108.1050	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	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[5]-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[5](N[5]C[5,5]C)(C[5]N[5]HH)(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[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<4>,2|C<3>}	106.7492	0.273	9	106.7492	0.075	9	106.7492	0.075	9	106.7492	0.075	9	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	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[5,6a]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	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[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>}	107.7300	0.000	1	107.7300	0.000	1	107.7300	0.000	1	107.8260	0.573	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	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[5]-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[5](N[5]C[5,5]C)(C[5]C[5]HS)(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[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	107.0100	0.000	1	107.0100	0.000	1	107.1110	0.020	2	107.8260	0.573	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	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[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	107.2120	0.000	1	107.2120	0.000	1	107.1110	0.020	2	107.8260	0.573	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	108.3950	0.000	1	108.3950	0.000	1	108.5890	0.075	2	107.8260	0.573	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	N[5]-3:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	108.7830	0.000	1	108.7830	0.000	1	108.5890	0.075	2	107.8260	0.573	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5,6]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	108.1905	0.422	2	108.1905	0.178	2	108.1905	0.178	2	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	107.6105	0.060	2	107.6105	0.004	2	107.7800	0.088	3	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6a]-3:C[5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|N<3>,5|C<3>}	108.1190	0.000	1	108.1190	0.000	1	107.7800	0.088	3	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[5]H)(N[5]C[5,5]C)(H)2	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[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>}	109.3530	0.000	1	109.3530	0.000	1	107.7992	1.721	6	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	107.2700	0.116	2	107.4884	1.427	5	107.7992	1.721	6	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	106.6790	0.253	2	107.4884	1.427	5	107.7992	1.721	6	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	109.5440	0.000	1	107.4884	1.427	5	107.7992	1.721	6	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	108.6670	0.000	1	108.6670	0.000	1	108.1028	0.154	5	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	107.9617	0.269	4	107.9617	0.072	4	108.1028	0.154	5	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:C[5,5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	108.1759	1.140	8	108.1759	1.300	8	108.1759	1.300	8	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-3:C[5]-3:C[5]-4:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	107.6555	0.811	2	107.6555	0.658	2	107.6555	0.658	2	107.9903	0.813	26	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:2:1:1:	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:O[5]-2:H-1: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[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2	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[5](N[5]C[5,5]C)(O[5]C[5,5])(H)2{1|C<3>,1|C<4>,2|H<1>}	100.1874	1.428	2	100.1874	2.038	2	100.1874	2.038	2	100.1874	2.038	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,3|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]2C)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	111.7370	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:3:2:1:	C[5,5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SCOO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SCOO){1|C<4>,1|H<1>,4|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]S)(H){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	108.9320	0.000	1	108.9320	0.000	1	107.7820	2.645	2	107.7820	2.645	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:3:2:1:	C[5,5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5,5]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:O[5]-2:H-1:	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SC[6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5]O[5]H)(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H)	N[5](C[5,5]C[5,6a]C[5,5]H)(C[5]C[6a]O[5]H)(SC[6a]OO){1|C<4>,1|H<1>,4|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]S)(H){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,5]S)(O[5]C[5,5])(H){1|C<4>,3|C<3>,4|H<1>}	106.6320	0.000	1	106.6320	0.000	1	107.7820	2.645	2	107.7820	2.645	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:3:3:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SCOO)	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SCOO){2|C<4>,3|H<1>}	C[5,5](C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,6|H<1>}	C[5](C[5]C[5,5]H)(N[5]C[5,5]S)(COO)(H){1|H<1>,2|C<4>}	110.2937	0.218	3	110.2937	0.048	3	110.2937	0.048	3	110.2937	0.048	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	3:3:4:1:	C[5,5]-4:C[6]-4:C[5]-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:C[5]-3:C-4:H-1:	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH)	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H)	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H)	N[5](C[5,5]N[5,5]C[5]H)(C[6]C[6,6a]N[6]H)(C[5]C[5]CH){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[5,5](N[5,5]C[5,6a]C[5])(C[5]C[5,6a]CO)(N[5]C[5]C[6])(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5](N[5]C[5,5]C[6])(C[5]N[5,5]O)(CH3)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	104.0860	0.000	1	104.0860	0.000	1	104.0860	0.000	1	104.0860	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(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[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	105.8400	0.000	1	105.8400	0.000	1	105.4917	0.320	3	105.4917	0.320	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(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[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	104.8390	0.000	1	105.3175	0.458	2	105.4917	0.320	3	105.4917	0.320	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	N[5,5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(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[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	105.7960	0.000	1	105.3175	0.458	2	105.4917	0.320	3	105.4917	0.320	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5a]-3:C[5,5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H)	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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	105.4210	0.000	1	105.4210	0.000	1	105.4210	0.000	1	105.4210	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	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[5]-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[5](N[5]C[5,5]C)(C[5]C[5]HH)(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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	107.2900	0.000	1	107.7497	0.195	3	107.7497	0.195	3	107.7497	0.195	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	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[5]-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[5](N[5]C[5,5]C)(C[5]C[5]HH)(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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|O<2>,2|H<1>}	107.9795	0.269	2	107.7497	0.195	3	107.7497	0.195	3	107.7497	0.195	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	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:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<2>,1|C<4>,2|C<3>}	106.9640	0.000	1	107.3616	2.715	5	107.7406	1.821	10	107.7406	1.821	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	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:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	105.4600	0.000	1	107.3616	2.715	5	107.7406	1.821	10	107.7406	1.821	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	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:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<4>,3|C<3>}	108.1280	1.632	3	107.3616	2.715	5	107.7406	1.821	10	107.7406	1.821	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	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:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	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[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>}	109.6710	0.000	1	108.3385	3.551	2	107.7406	1.821	10	107.7406	1.821	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	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:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]2H)(H)2	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[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>}	107.0060	0.000	1	108.3385	3.551	2	107.7406	1.821	10	107.7406	1.821	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	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:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]CH)(H)2{1|H<1>,3|C<3>}	108.0370	0.000	1	108.0370	0.000	1	107.7406	1.821	10	107.7406	1.821	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	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:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|H<1>,3|C<3>}	107.5070	0.000	1	107.5070	0.000	1	107.7406	1.821	10	107.7406	1.821	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	3:4:1:1:	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:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]HS)(H)2{1|H<1>,3|C<3>}	108.3770	0.000	1	108.3770	0.000	1	107.7406	1.821	10	107.7406	1.821	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5,6]-4:N[5]-3: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[5](C[5,6]C[5,5]C[6]2)(N[5]C[5,5]C)(H)2	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[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>}	107.5350	0.000	1	107.5350	0.000	1	107.5350	0.000	1	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	107.1157	1.012	3	107.1157	1.024	3	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	106.1170	0.000	1	106.1170	0.000	1	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|N<2>,5|C<3>}	107.1890	0.000	1	107.1890	0.000	1	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	107.0090	0.000	1	107.3705	0.261	2	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	107.7320	0.000	1	107.3705	0.261	2	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	106.0630	0.000	1	106.0630	0.000	1	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]CC)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]CC)(N[5]C[5,5]C)(H)2{4|C<3>}	107.6970	0.000	1	107.6970	0.000	1	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{4|C<3>}	107.0991	0.883	9	107.0991	0.780	9	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	106.0350	0.000	1	106.0350	0.000	1	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	108.5820	0.000	1	107.8339	0.214	8	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	107.4553	0.471	3	107.8339	0.214	8	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	107.9308	0.099	4	107.8339	0.214	8	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	106.5132	0.330	4	106.7859	0.284	21	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|S<2>,5|C<3>}	106.8500	0.559	17	106.7859	0.284	21	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	106.5240	0.000	1	108.5303	3.009	6	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	106.4820	0.000	1	108.5303	3.009	6	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	110.6940	0.000	1	108.5303	3.009	6	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	109.1607	0.689	3	108.5303	3.009	6	107.2118	0.990	54	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[5a]H)(N[5]C[5,5]C)(H)2	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[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>}	106.6580	0.000	1	106.6580	0.000	1	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	107.6100	0.740	5	107.8478	0.586	10	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	107.7020	0.833	3	107.8478	0.586	10	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	108.6610	0.157	2	107.8478	0.586	10	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	106.8830	0.000	1	106.7830	0.159	29	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	106.5930	0.369	3	106.7830	0.159	29	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	106.4750	0.322	6	106.7830	0.159	29	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	107.0512	0.232	11	106.7830	0.159	29	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	106.9804	0.169	5	106.7830	0.159	29	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	106.2437	0.482	3	106.7830	0.159	29	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5,6]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]HH)(N[5]C[5,5]C)(H)2{4|C<3>}	108.1910	0.238	2	108.1910	0.056	2	107.1006	0.509	42	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[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>}	107.1705	0.514	2	107.1705	0.264	2	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	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[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>}	109.5670	0.000	1	109.5670	0.000	1	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	106.7950	0.000	1	106.8449	0.672	10	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<2>,5|C<3>}	107.8870	0.000	1	106.8449	0.672	10	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	107.0250	0.000	1	106.8449	0.672	10	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	106.6774	0.888	7	106.8449	0.672	10	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5a]C[5]H)(N[5]C[5,5]C)(H)2	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[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>}	106.2770	0.000	1	106.2770	0.000	1	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	108.0220	0.000	1	107.8412	0.420	6	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2{1|H<1>,5|C<3>}	107.8050	0.718	5	107.8412	0.420	6	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[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>}	106.5348	0.238	4	106.5348	0.057	4	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5,5]C)(H)2	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[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>}	108.5250	0.601	2	108.5250	0.361	2	107.2642	0.972	26	107.1875	0.805	123	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,1|N<3>,2|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HN)(N[5]C[5]S){3|C<3>,5|H<1>}	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.7440	0.000	1	110.7440	0.000	1	112.0020	1.784	3	112.0020	1.784	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	3:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,6a]-3:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]HH)(C[5]N[5]HO)(N[5]C[5]S){3|C<3>,5|H<1>}	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	112.6310	1.093	2	112.6310	1.195	2	112.0020	1.784	3	112.0020	1.784	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:2:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	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[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>}	105.3400	0.039	3	105.3400	0.002	3	104.9794	0.348	5	104.9794	0.348	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:2:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:O[5]-2:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]C)(H)	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[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>}	104.4385	0.643	2	104.4385	0.413	2	104.9794	0.348	5	104.9794	0.348	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	3:2:3:1:	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:O[5]-2:C-3: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[5](N[5]C[5,5]C)(O[5]C[5,5])(CC[6a]O)(H)	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[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>}	102.4765	0.153	2	102.4765	0.024	2	102.4765	0.024	2	102.4765	0.024	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	3:3:4:1:	C[5,5]-4:C[5]-4:C-4:	C[3x5]-4:N[5]-3:N[5]-3:H-1:	C[5,5]-3:N[5]-3:C-4: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[5](C[5,5]C[3x5]N[5])(N[5]C[5,5]C)(CC3)(H)	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[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>}	111.4190	0.000	1	111.4190	0.000	1	111.4190	0.000	1	111.4190	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	3:3:4:4:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]CC)(SCOO)	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H)	C[5](C[5]N[5,5]O)(N[5]C[5,5]S)(CH3)2	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]CC)(SCOO){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O[5])(N[5,5]C[5,6a]C[5])(N[5]C[5]S)(H){1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]N[5,5]O)(N[5]C[5,5]S)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	112.1600	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(H)2{1|H<1>,3|C<3>}	104.3540	0.000	1	104.3540	0.000	1	104.3540	0.000	1	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5,5]-3:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(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[5](C[5]N[5,5]HH)(N[5]C[5,5]C)(H)2{1|H<1>,2|C<4>}	105.7740	0.000	1	105.7740	0.000	1	105.7740	0.000	1	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	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[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>}	105.9758	0.396	5	105.9758	0.157	5	106.1791	0.921	7	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]C)(N[5]C[5,5]C)(H)2	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[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>}	108.1320	0.000	1	108.1320	0.000	1	106.1791	0.921	7	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2	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[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>}	105.2430	0.000	1	105.2430	0.000	1	106.1791	0.921	7	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SCOO)	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SCOO){1|H<1>,2|C<4>,3|C<3>}	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.3960	0.000	1	111.3960	0.000	1	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	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[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){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]S)(H){2|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.1478	0.592	4	111.1478	0.350	4	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	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[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	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[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	109.8900	0.000	1	109.8900	0.000	1	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	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[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	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[5](C[5]C[5,5]C[5a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.3345	2.470	2	110.3345	6.101	2	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.7337	0.308	3	107.7337	0.095	3	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	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[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	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[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	108.0160	0.000	1	108.0160	0.000	1	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){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]S)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	113.4130	0.000	1	113.4130	0.000	1	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){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]S)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.9505	1.334	2	111.9505	1.780	2	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]C)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	107.7035	0.326	2	107.7035	0.106	2	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|N<3>}	107.7690	0.000	1	107.7690	0.000	1	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]O)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,1|N<3>,1|O<2>,3|C<3>}	109.4190	0.000	1	109.4190	0.000	1	109.8775	3.937	19	108.6091	6.460	28	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,6a]H)(N[5]C[5]S)(H){2|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.9435	0.343	2	111.9435	0.118	2	113.2310	2.914	4	113.2310	2.914	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|Br<1>,1|S<4>,2|C<3>,2|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]Br)(N[5]C[5,6a]S)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	113.5200	0.000	1	113.5200	0.000	1	113.2310	2.914	4	113.2310	2.914	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	C[5,5](C[5,5]C[5,6a]C[5]N)(N[5]C[5,6a]H)(N[5]C[5]S)(H){3|C<3>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|H<1>,2|N<3>}	115.5170	0.000	1	115.5170	0.000	1	113.2310	2.914	4	113.2310	2.914	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,2|C<4>,3|C<3>}	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	107.6940	0.000	1	107.6940	0.000	1	107.5895	0.022	2	107.5895	0.022	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5]CH)(SC[6a]OO){1|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]S)(H){1|C<4>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(CHHN)(H){1|N<3>,2|H<1>,3|C<3>}	107.4850	0.000	1	107.4850	0.000	1	107.5895	0.022	2	107.5895	0.022	2	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	N[5]-3:C[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]HN)(H)2{1|H<1>,3|C<3>}	109.8790	0.000	1	109.8790	0.000	1	109.8790	0.000	1	108.6577	2.161	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	3:4:1:1:	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[5]-4: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[5](N[5]C[5,5]C)(C[5]N[5]HH)(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[5](N[5]C[5,5]C)(C[5]N[5]HH)(H)2{1|C<3>,2|C<4>}	108.0470	1.444	2	108.0470	2.085	2	108.0470	2.085	2	108.6577	2.161	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	110.2910	0.000	1	110.2910	0.000	1	108.1155	3.019	4	108.0223	1.885	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]C)(H)2{6|C<3>}	106.9690	1.297	2	106.9690	1.682	2	108.1155	3.019	4	108.0223	1.885	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,5]CH)(N[5]C[5,5]C)(H)2{1|S<2>,3|C<3>}	108.2330	0.000	1	108.2330	0.000	1	108.1155	3.019	4	108.0223	1.885	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-4:C[5,6a]-3:C[5]-3:N[5]-3:	C[5,6]-4:N[5]-3: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[5](C[5,6]C[5,6]C[6]N)(N[5]C[5,5]C)(H)2	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[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>}	107.7180	0.000	1	107.7180	0.000	1	107.7180	0.000	1	108.0223	1.885	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	108.4500	1.579	3	108.0086	1.944	5	108.0086	1.944	5	108.0223	1.885	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	106.5320	0.000	1	108.0086	1.944	5	108.0086	1.944	5	108.0223	1.885	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,6]-4:C[5]-3:C[5]-3:N[5]-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2	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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,5]C)(H)2{1|C<4>,5|C<3>}	108.1610	0.000	1	108.0086	1.944	5	108.0086	1.944	5	108.0223	1.885	10	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:3:4:3:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[6a]-3:C[5]-4:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]C[6a]C[5])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5,5](C[5,5]C[5]2H)(C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S){3|C<3>,8|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	112.7210	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[3x5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[3x5,6]O)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[3x5,6]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|O<1>,2|H<1>,3|C<4>}	C[5,5](C[3x5,6]C[5,5,6]2C[5])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]C[3x5,6]O)(N[5]C[5,5]S)(H)2{1|H<1>,3|C<4>}	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	108.4050	3.528	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2{1|H<1>,3|C<4>}	106.9360	0.000	1	106.7955	0.039	2	106.7955	0.039	2	108.4050	3.528	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[3x5]-4:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[3x5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|H<1>,3|C<4>}	C[5,5](C[3x5]C[5,5]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[5](C[5]C[3x5]C)(N[5]C[5,5]S)(H)2{1|H<1>,3|C<4>}	106.6550	0.000	1	106.7955	0.039	2	106.7955	0.039	2	108.4050	3.528	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<3>,4|H<1>}	C[5](C[5]C[5,5]C)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.3160	0.000	1	110.3160	0.000	1	110.3160	0.000	1	108.4050	3.528	4	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[3x5]-4:C[3,5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(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[5](C[5]C[3x5]HH)(N[5]C[5,5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	105.2390	0.000	1	105.2390	0.000	1	105.2390	0.000	1	107.8434	8.889	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]C[5,5,6]HH)(N[5]C[5,5]C)(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[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>}	107.3250	0.000	1	107.3250	0.000	1	107.3250	0.000	1	107.8434	8.889	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(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[5](C[5]C[5,5]HH)(N[5]C[5,5]C)(H)2{2|C<4>,2|H<1>}	104.8510	0.000	1	104.8510	0.000	1	104.8510	0.000	1	107.8434	8.889	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5,5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.5540	0.000	1	111.5540	0.000	1	110.9010	0.853	2	107.8434	8.889	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	C[5,5](C[5,5]C[6a]C[5]2)(C[5]C[5]HH)(N[5]C[5]S)(H){3|C<3>,7|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5,5]S)(H)2{1|H<1>,2|C<4>,3|C<3>}	110.2480	0.000	1	110.2480	0.000	1	110.9010	0.853	2	107.8434	8.889	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	4:3:3:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H)	N[5](C[5,5]C[5,5]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5,5](C[5,5]C[5]2H)(C[5]O[5]CH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5,5]S)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	110.2960	0.000	1	110.2960	0.000	1	110.2960	0.000	1	110.2960	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:1:	4:3:4:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(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[5](C[5]C[5,5]HO)(N[5]C[5,5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	107.8370	0.000	1	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	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[5]-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[5](N[5]C[5,5]C)(C[5]C[5]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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	106.5860	0.000	1	106.5860	0.000	1	107.1670	1.976	3	107.1670	1.976	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	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[5]-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[5](N[5]C[5,5]C)(C[5]C[5]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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.4575	1.856	2	107.4575	3.445	2	107.1670	1.976	3	107.1670	1.976	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:3:3:	4:3:4:1:	C[5,5]-4:C[5]-4:C-4:	C[5,5]-4:C[5]-4:C[5]-3:N[5]-3:	C[5]-4:N[5]-3:C[5]-4: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[5](C[5]C[5]O[5]H)(N[5]C[5,5]C)(C[5]C[5]HH)(H)	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[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>}	110.9160	0.139	3	110.9160	0.019	3	110.9160	0.019	3	110.9160	0.019	3	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:4:3:	3:4:1:1:	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[5]-4:H-1: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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2	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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	111.2080	0.000	1	111.2080	0.000	1	111.2080	0.000	1	110.8836	10.236	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	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[5]-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[5](N[5]C[5,5]C)(C[5]C[5]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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	105.8680	0.000	1	105.8680	0.000	1	107.9790	8.913	2	110.8836	10.236	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	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[5]-4: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[5](N[5]C[5,5]C)(C[5]C[5]HH)(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[5](N[5]C[5,5]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	110.0900	0.000	1	110.0900	0.000	1	107.9790	8.913	2	110.8836	10.236	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,5]	C[5]	4:4:4:	4:4:4:3:	3:4:1:1:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SC[6a]OO)	C[5,5](C[5]C[5]HH)2(C[5]N[5]CC)(N[5]C[5]S)	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,6|H<1>}	C[5,5](C[5]C[5]HH)2(C[5]N[5]CC)(N[5]C[5]S){1|C<3>,1|S<4>,5|H<1>}	C[5](N[5]C[5,5]S)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	113.6260	0.109	2	113.6260	0.012	2	113.6260	0.012	2	110.8836	10.236	5	107.9268	5.092	349	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6,6]	C[5]	4:4:1:	3:3:3:3:	3:4:1:1:	C[5,6,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[6,6]-3:N[5,6]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[5]C[5]HH)(H)	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6])(N[5,6]C[5]C[6])(N[5]C[5]H)	C[5](N[5]C[5,6,6]H)(C[5]N[5,6]HH)(H)2	N[5](C[5,6,6]C[6,6a]C[6,6]N[5,6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6a]N[6])(N[5,6]C[5]C[6])(N[5]C[5]H){1|C<4>,1|N<2>,3|C<3>,7|H<1>}	C[5](N[5]C[5,6,6]H)(C[5]N[5,6]HH)(H)2{1|C<4>,2|C<3>}	106.0790	0.000	1	106.0790	0.000	1	106.0790	0.000	1	106.0790	0.000	1	107.1932	13.690	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6,6]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C-4:	C[5,4x6]-4:C[4x6]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-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[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]C)(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[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>}	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	102.4140	0.000	1	107.1932	13.690	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:C-4:	C[5,3x6]-4:C[6,6]-4:N[5]-3:H-1:	C[5,6,6]-4:N[5]-3: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[5](C[5,6,6]C[5,3x6]C[6,6]H)(N[5]C[5,6,6]C)(H)2	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[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>}	105.7180	0.000	1	105.7180	0.000	1	105.7180	0.000	1	107.8865	9.405	2	107.1932	13.690	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6,6]-4:C[5]-4:S-4:	C[5,4x6]-4:C[4x6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]S)(H)2	N[5](C[5,6,6]C[5,4x6]C[4x6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|H<1>,6|C<4>}	C[5,6,6](C[5,4x6]C[3x6]C[5,6]C[6,6])(C[4x6]C[6,6]C[6x6]H)(N[5]C[5]S)(H){1|C<3>,1|O<2>,6|C<4>,6|H<1>}	C[5](C[5,6]C[5,4x6]C[6]C)(N[5]C[5,6,6]S)(H)2{3|H<1>,4|C<4>}	110.0550	0.000	1	110.0550	0.000	1	110.0550	0.000	1	107.8865	9.405	2	107.1932	13.690	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6,6]	C[5]	4:4:4:	4:4:3:4:	4:3:1:1:	C[5,6,6]-4:C[5]-4:S-4:	C[5,6,6]-4:C[6,6]-4:N[5]-3:C-4:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)(SC[6a]OO)	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(N[5]C[5]S)(CH3)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6,6]S)(H)2	N[5](C[5,6,6]C[5,6,6]C[6,6]C)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,3|C<4>,3|H<1>}	C[5,6,6](C[5,6,6]C[5,6]C[6]H)(C[6,6]C[6]2H)(N[5]C[5]S)(CH3){2|C<3>,9|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6,6]S)(H)2{1|C<3>,1|H<1>,4|C<4>}	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	111.7000	0.000	1	107.1932	13.690	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5,5]	4:4:1:	3:4:3:1:	4:3:4:3:	C[5,6]-4:C[5,5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C[5]-4:C[5]-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]3)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]C)(N[5]C[5,5]H)(H)	C[5,5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5,5]C[5]3)(H){1|O<1>,1|O<2>,2|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]C)(N[5]C[5,5]H)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[5,5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(C[5]C[5]HH)(C[5]O[5]O){1|C<4>,3|H<1>,4|C<3>}	108.9195	0.578	2	108.9195	0.334	2	108.9195	0.334	2	108.9195	0.334	2	108.9195	0.334	2	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5,6]	4:4:1:	3:4:4:3:	3:4:4:3:	C[5,6]-4:C[5,6]-4:H-1:	N[5]-3:C[6]-4:C[6]-4:N[5]-3:	N[5]-3:C[6]-4:C[6]-4:C[5]-3:	N[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2N[5])(H)	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(N[5]C[5]H)	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(C[5]N[5]O)	N[5](C[5,6]C[5]C[6]2)(C[5,6]C[6]2N[5])(H){1|O<1>,4|C<4>,9|H<1>}	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(N[5]C[5]H){1|O<1>,3|C<4>,4|H<1>}	C[5,6](N[5]C[5,6]H)(C[6]C[6]HH)2(C[5]N[5]O){3|C<4>,5|H<1>}	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	109.2630	0.000	1	108.5294	1.464	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5,6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[5,6]-4:C[5,6]-4:C-4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:C[6]-4:N[5]-3: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[5,6](C[5,6]C[5,6,6]CC)(C[6]C[5,6]HH)(N[5]C[5,6]C)(H)	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[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>}	108.3460	1.314	4	108.3460	1.727	4	108.3460	1.727	4	108.3460	1.727	4	108.5294	1.464	5	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:3:4:	3:4:3:1:	3:4:4:3:	C[5,6]-4:C[6a]-3:C[5]-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	N[5]-3:C[5]-4:C-4:C-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)(COO)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|C<4>,4|C<3>,5|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5]H)(N[5]C[6a]C[5])(H){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]HH)(CF3)(COO){1|C<4>,2|H<1>,3|C<3>}	110.5910	0.000	2	110.5910	0.000	2	110.5910	0.000	2	110.5910	0.000	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:3:4:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:N[6]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H)	C[5](N[5]C[5,6]C[6a])2(H)2	N[5](C[5,6]C[5,6]N[6]H)(C[6a]C[6a]2)(C[5]N[5]HH){1|S<4>,2|C<4>,2|H<1>,4|C<3>}	C[5,6](C[5,6]C[6a]C[6]N[5])(N[5]C[6a]C[5])(N[6]C[6]S)(H){1|N<3>,5|C<3>,6|H<1>}	C[5](N[5]C[5,6]C[6a])2(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	111.7530	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:3:4:	4:3:3:1:	3:4:2:1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:C[6]-3:H-1:	N[5]-3:C[5]-4:C-2:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H)	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<2>,1|N<2>,3|C<3>,5|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(N[5]C[6a]C[5])(C[6]C[6]H)(H){2|C<2>,3|C<3>,3|H<1>}	C[5](N[5]C[5,6]C[6a])(C[5]C[5,6]CH)(CN)(H){1|N<2>,2|H<1>,3|C<3>}	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	111.4700	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:3:4:	4:3:3:4:	3:3:1:1:	C[5,6]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:C[6a]-3:C[6]-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]N[5]HH)	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH)	C[5](N[5]C[5,6]C[6a])2(H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[6a]C[6a]2)(C[5]N[5]HH){2|N<3>,5|C<3>,5|H<1>}	C[5,6](C[5,6]N[5]N[6]H)(N[5]C[6a]C[5])(C[6a]C[6a]2)(C[6]N[6]HH){1|C<4>,1|S<4>,4|H<1>,6|C<3>}	C[5](N[5]C[5,6]C[6a])2(H)2{1|C<4>,1|H<1>,1|N<3>,5|C<3>}	110.6350	0.000	1	110.6350	0.000	1	110.6350	0.000	1	110.6350	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:3:3:3:	4:3:1:1:	C[5,6]-4:C[5]-4:H-1:	N[5,6]-3:C[6]-3:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,4|C<3>,8|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	105.5130	0.000	1	105.5130	0.000	1	105.5130	0.000	1	105.5130	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:3:4:3:	4:3:1:1:	C[5,6]-4:C[5]-4:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	105.1630	0.000	1	105.4080	0.120	2	105.4080	0.120	2	105.4080	0.120	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:3:4:3:	4:3:1:1:	C[5,6]-4:C[5]-4:H-1:	N[5,6]-3:C[6a]-3:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6a]C[6])(C[5]C[5]HH)(H){1|C<4>,3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]H){5|C<3>,7|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<4>,2|C<3>}	105.6530	0.000	1	105.4080	0.120	2	105.4080	0.120	2	105.4080	0.120	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[6a]C[5]H)(H){2|H<1>,6|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]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5]C[5,6]C[6a]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){4|H<1>,6|C<3>}	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	109.5780	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:4:3:1:	4:3:3:3:	C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H){2|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]H)(H){1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{2|H<1>,4|C<3>}	107.7800	0.000	1	108.0595	0.156	2	107.9863	0.094	3	107.9863	0.094	3	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:4:3:1:	4:3:3:3:	C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5]C[5]H)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H){2|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]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{2|H<1>,4|C<3>}	108.3390	0.000	1	108.0595	0.156	2	107.9863	0.094	3	107.9863	0.094	3	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:4:3:1:	4:3:3:3:	C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]N)(N[5]C[5]H)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]CC)(H){1|H<1>,1|N<3>,4|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]H)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]H)(COO)2{1|H<1>,1|N<3>,4|C<3>}	107.8400	0.000	1	107.8400	0.000	1	107.9863	0.094	3	107.9863	0.094	3	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:4:3:3:	3:4:4:1:	C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5]-4:C[6]-3:N[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(N[5]C[5]H)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H)	N[5](C[5,6]C[6,6a]C[5]C[6])(C[5]C[5]CH)(H){1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5]C[5]HH)(C[6]C[6]O)(N[5]C[5]H){1|C<4>,3|C<3>,5|H<1>}	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(CH3)(H){2|C<3>,2|H<1>}	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	110.8290	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:4:3:3:	4:3:3:1:	C[5,6]-4:C[5]-4:H-1:	C[6,6a]-3:C[5,6]-4:C[6a]-3:N[5]-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(COO)(H)	N[5](C[5,6]C[6,6a]C[5,6]C[6a])(C[5]C[5]CH)(H){1|C<4>,2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H){1|C<4>,1|O<1>,1|O<2>,5|C<3>,5|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]H)(COO)(H){1|H<1>,3|C<3>}	107.5320	0.000	1	107.5320	0.000	1	107.5320	0.000	1	107.5320	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	3:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:H-1:	N[5,6]-3:C[6]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)(CH3)	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]N[5,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]H)(CH3){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[5](C[5]N[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,2|C<4>}	104.8020	0.000	1	104.8020	0.000	1	104.8020	0.000	1	104.8020	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	4:3:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:H-1:	C[5]-4:C[6]-3:C[6]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H)	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]H)	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(H){2|C<3>,6|H<1>}	C[5,6](C[5]C[5]HH)(C[6]C[6]H)2(N[5]C[5]H){1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5,6]H)(C[5]C[5]HH)(H)2{2|C<3>,2|H<1>}	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	107.0810	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	3:3:3:4:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[6a]-3:N[5]-3:N[5]-3:C-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]C)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2(CF3)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]N[5]C)(H){2|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,2|C<4>,5|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5,6]H)2(CF3){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	105.8510	1.727	2	105.8510	2.982	2	105.8510	2.982	2	105.8510	2.982	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]C[5,6]2H)(C[5]C[5]HH)(H){1|S<2>,2|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]S)(N[5]C[5]H)(H){11|H<1>,1|O<2>,3|C<4>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2{1|H<1>,1|S<2>,2|C<4>}	108.6910	0.000	1	108.6910	0.000	1	108.6910	0.000	1	108.6910	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-4:N[5]-3:C-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H)	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]N[5]CH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[6]N[5]H)(C[6]C[6]HH)(N[5]C[5]H)(H){1|C<3>,1|C<4>,7|H<1>}	C[5](N[5]C[5,6]HH)(N[5]C[5,6]H)(COO)(H){2|C<4>,2|H<1>}	103.6540	0.000	1	103.6540	0.000	1	103.6540	0.000	1	103.6540	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	4:4:3:1:	4:3:4:1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]CH)(H){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]H)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(CC[6a]2O)(H){2|C<4>,2|H<1>}	107.2940	3.106	2	107.2940	9.645	2	107.2940	9.645	2	107.2940	9.645	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:1:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]HH)(N[5]C[5]H)(CH3)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,5|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(C[6]O[6]HH)(N[5]C[5]H)(CH3){2|C<3>,4|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]H)(H)2{1|C<3>,1|H<1>,2|C<4>}	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	108.5300	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CNO){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){2|C<3>,6|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>}	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	111.5610	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:S-3:	C[5,5,6]-4:C[6,6a]-3:N[5]-3:H-1:	C[5,5]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH)(SCO)	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6]C[6,6a]H)(C[5]C[5,5]HH)(SCO){1|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]S)(H){1|O<2>,5|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5,6]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	110.2630	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<3>,1|C<4>,2|H<1>,4|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,4|N<3>}	109.2414	1.682	12	109.1661	2.695	15	108.8979	2.177	90	108.8979	2.177	90	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H)	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<3>,1|C<4>,2|H<1>,4|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]C)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,4|N<3>}	108.8647	1.770	3	109.1661	2.695	15	108.8979	2.177	90	108.8979	2.177	90	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<4>,2|H<1>,5|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,4|N<3>}	108.9133	1.517	4	108.8442	2.091	75	108.8979	2.177	90	108.8979	2.177	90	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:3:3:1:	3:3:4:1:	C[5,6]-4:C[5]-4:N-3:	C[5,6]-4:N[6]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C[5]-4:H-1:	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO)	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H)	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H)	N[5](C[5,6]C[5,6]N[6]H)(C[5]C[5]N[5]H)(NOO){1|C<4>,2|H<1>,5|N<3>}	C[5,6](C[5,6]N[5]N[6]H)(N[6]C[5,6]N)(N[5]C[5]N)(H){2|C<4>,2|H<1>,3|N<3>}	C[5](N[5]C[5,6]N)2(C[5]N[5]2H)(H){2|C<4>,2|H<1>,4|N<3>}	108.8403	1.453	71	108.8442	2.091	75	108.8979	2.177	90	108.8979	2.177	90	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(CC[6a]O){3|C<4>,4|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>,8|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	109.2030	0.000	1	109.2030	0.000	1	110.8193	2.205	3	110.6332	1.472	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){1|C<4>,1|N<3>,1|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]O[6]H)(C[6]N[6]CH)(N[5]C[5]C)(H){2|C<3>,4|H<1>}	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>}	111.1320	0.000	1	111.1320	0.000	1	110.8193	2.205	3	110.6332	1.472	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(COO){3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]C)(H){1|O<1>,3|C<3>,5|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>}	112.1230	0.000	1	112.1230	0.000	1	110.8193	2.205	3	110.6332	1.472	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-3:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCO)	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCO){1|C<3>,1|C<4>,1|S<4>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]S)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<4>}	110.3540	1.103	2	110.3540	1.217	2	110.3540	1.217	2	110.6332	1.472	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:2:3:1:	3:4:3:1:	C[5,6]-4:C[5]-4:S-4:	C[6,6a]-3:O[5,6]-2:N[5]-3:H-1:	C[5a]-3:C[5,6]-4:N[5]-3:H-1:	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[5a]H)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H)	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[6,6a]O[5,6]H)(C[5]C[5,6]C[5a]H)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(O[5,6]C[5,6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(C[5,6]O[5,6]O[6]C)(N[5]C[5,6]S)(H){1|N<3>,2|H<1>,4|C<3>}	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	107.5460	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-3: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[5](C[5]C[5,6]C[6a])(N[5]C[5,6]C)(COO)(H)	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[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>}	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	109.2880	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[6,6a]-3:C[5,6]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5]HH)(SC[6a]OO){2|H<1>,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]S)(H){1|C<2>,1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<3>}	108.9130	0.000	1	108.9130	0.000	1	108.9130	0.000	1	108.3013	0.737	3	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5]N[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	108.6710	0.000	1	108.6710	0.000	1	107.9955	0.913	2	108.3013	0.737	3	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H)	C[5](C[5]N[5,6]CH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]S[6])(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,2|O<1>,4|H<1>}	C[5](C[5]N[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,1|S<4>}	107.3200	0.000	1	107.3200	0.000	1	107.9955	0.913	2	108.3013	0.737	3	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:3:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:S-4:	C[6,6a]-3:N[5,6]-3:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H)	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[6,6a]N[5,6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){1|C<4>,1|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5]C[6])(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]N[5,6]CH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|C<4>,3|C<3>,3|H<1>}	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	109.5640	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:3:3:2:	3:4:1:1:	C[5,6]-4:C[5]-4:S-4:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5])	C[5](N[5]C[5,6]S)(C[5]O[5]HH)(H)2	N[5](C[5,6]C[6]2O[5])(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	C[5,6](C[6]C[6]H)2(N[5]C[5]S)(O[5]C[5]){1|C<3>,6|H<1>}	C[5](N[5]C[5,6]S)(C[5]O[5]HH)(H)2{2|C<3>}	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	109.7200	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,3|H<1>}	C[5,6](C[5,6]C[3,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|O<2>,5|H<1>}	C[5](C[5]C[5,6]H)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<4>}	110.8225	0.730	2	110.8225	0.534	2	110.8225	0.534	2	110.8225	0.534	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	103.6100	0.000	1	103.6100	0.000	1	103.6100	0.000	1	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	103.9100	0.000	1	103.9100	0.000	1	104.7963	1.861	13	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[4]H)(N[5]C[5,6]C)(H)2	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[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>}	104.1770	0.000	1	104.1770	0.000	1	104.7963	1.861	13	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	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[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>}	103.0240	0.000	1	105.0662	1.897	4	104.7963	1.861	13	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	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[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>}	105.8855	0.127	2	105.0662	1.897	4	104.7963	1.861	13	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	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[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>}	105.4700	0.000	1	105.0662	1.897	4	104.7963	1.861	13	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	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[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>}	104.3970	2.441	2	104.3970	5.958	2	104.7963	1.861	13	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]C)(H)2	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[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>}	105.0412	1.467	5	105.0412	2.152	5	104.7963	1.861	13	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,1|O<2>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,3|C<3>}	110.4607	0.477	3	110.4607	0.227	3	110.4607	0.227	3	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	106.5590	0.000	1	106.5590	0.000	1	107.2660	1.000	2	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5a,6]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5a,6]C[5,6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,5|H<1>}	107.9730	0.000	1	107.9730	0.000	1	107.2660	1.000	2	105.8882	6.167	19	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	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[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>}	104.5510	0.048	2	104.5510	0.002	2	104.5510	0.002	2	104.5510	0.002	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	3:4:3:1:	4:3:4:1:	C[5,6]-4:C[5]-4:S-4:	C[6,6a]-3:C[5,6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]CH)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]HH)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H)	N[5](C[5,6]C[6,6a]C[5,6]H)(C[5]C[5,6]CH)(SC[6a]OO){1|O<2>,2|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]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]S)(CCHH)(H){2|C<3>,3|H<1>}	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	110.8900	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:2:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:O[6]-2:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|O<2>,2|H<1>}	108.4100	0.342	2	108.4100	0.117	2	108.4100	0.117	2	108.4100	0.117	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:2:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,5,6]-4:N[5]-3:O[6]-2:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6]O[6]H)(C[5]C[5,5]HH)(SC[6a]OO){2|H<1>,3|C<4>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5]C[5]S)(O[6]C[6])(H){2|C<4>,7|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2{1|O<2>,2|C<4>,4|H<1>}	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	111.3790	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	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:N[5]-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[5](N[5]C[5,6]C)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[5](N[5]C[5,6]C)2(H)2{2|H<1>,2|N<3>}	104.9965	0.192	2	104.9965	0.037	2	104.9965	0.037	2	104.9965	0.037	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	3:3:3:1:	C[5,6]-4:C[5]-4:S-4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	N[5,5]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H)	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]N[5,5]C[6a]H)(SC[6a]OO){1|H<1>,2|C<4>,4|C<3>}	C[5,6](C[5,5,6]C[5,6]N[5,5]C)(C[6]C[6]H)(N[5]C[5]S)(H){1|C<3>,3|C<4>,3|H<1>}	C[5](N[5,5]C[5,5,6]C[5])(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<4>,4|C<3>,5|H<1>}	106.5836	1.884	5	106.5836	3.551	5	106.5836	3.551	5	106.5836	3.551	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(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[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<3>}	106.2220	0.000	1	106.7060	0.469	2	106.7060	0.469	2	106.4315	2.113	8	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(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[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>}	107.1900	0.000	1	106.7060	0.469	2	106.7060	0.469	2	106.4315	2.113	8	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1: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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<4>,1|H<1>,2|C<3>}	104.7125	0.388	2	104.7125	0.151	2	104.7125	0.151	2	106.4315	2.113	8	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[5,6]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	106.0510	0.946	2	106.0510	0.895	2	106.0510	0.895	2	106.4315	2.113	8	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,5,6]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]S)(H)	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[5,6](C[5,5,6]O[5,6]C[5]2)(C[6]C[6]O)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,5,6]HH)(N[5]C[5,6]S)(H)2{1|H<1>,1|O<2>,2|C<3>}	107.8940	0.000	1	107.8940	0.000	1	107.8940	0.000	1	106.4315	2.113	8	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|N<2>,2|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]C[6]N)(N[5]C[5]S)(H){1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	108.6190	0.000	1	108.6190	0.000	1	108.6190	0.000	1	106.4315	2.113	8	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5,6,6]HH)(N[5]C[5,6]C)(CCH)(H)	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[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>}	103.7790	0.000	1	103.7790	0.000	1	103.7790	0.000	1	103.7790	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:3:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[3,5,6]-4:C[6a]-3:C[6]-3:N[5]-3:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[3,5,6]C[6a]C[6])(C[5]C[3,5]HH)(SC[6a]OO)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[3,5,6]C[6a]C[6])(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,2|H<1>,4|C<3>}	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6a]C[6a]2)(C[6]C[6]H)(N[5]C[5]S){4|C<3>,6|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{2|H<1>,3|C<3>}	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	108.4690	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:4:	3:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,5|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	110.1030	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,5,6]-4:C[6]-3:N[5]-3:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(SC[6a]OO)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6]C[6]C)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5,6]S)(H)2{1|H<1>,2|C<3>,3|C<4>}	108.2150	0.000	1	108.2150	0.000	1	108.2150	0.000	1	110.7613	4.940	3	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]H)(N[5]C[5]S)(CH3){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	112.0345	0.392	2	112.0345	0.154	2	112.0345	0.154	2	110.7613	4.940	3	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:3:4:3:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6a]-3:C[6]-4:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]S)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6a]C[6])(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|S<2>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]S)(C[6a]C[6a]2)(C[6]C[6]HH)(N[5]C[5]S){1|O<2>,3|C<3>,8|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<4>,1|S<2>,2|C<3>}	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	113.3420	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	3:2:4:4:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5]-3:O[5]-2:C-4:C-4:	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(SC[6a]OO)	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]CC)(SC[6a]OO){1|C<3>,1|C<4>,3|H<1>}	C[5,6](C[5,6]C[6,6a]O[5]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[5,6]S)(O[5]C[5,6])(CH3)2{1|C<3>,1|C<4>,2|H<1>}	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	110.4430	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	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:	C[5]-3:N[5]-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[5](C[5]C[5,6]C)(N[5]C[5,6]C)(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[5](C[5]C[5,6]C)(N[5]C[5,6]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	106.6940	0.000	1	106.6940	0.000	1	106.6940	0.000	1	105.4659	5.006	28	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	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:N[5]-3:H-1: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[5](N[5]C[5,6]C)2(H)2	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[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	105.9520	0.000	1	105.9520	0.000	1	104.9204	2.042	25	105.4659	5.006	28	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	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:N[5]-3: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[5](N[5]C[5,6]C)2(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[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	100.1120	0.000	1	100.1120	0.000	1	104.9204	2.042	25	105.4659	5.006	28	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	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:N[5]-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[5](N[5]C[5,6]C)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[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	104.9957	1.056	21	104.9957	1.114	21	104.9204	2.042	25	105.4659	5.006	28	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	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: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[5](N[5]C[5,6]C)2(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[5](N[5]C[5,6]C)2(H)2{2|C<4>,2|H<1>}	106.0175	0.128	2	106.0175	0.016	2	104.9204	2.042	25	105.4659	5.006	28	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,5,6,6]O)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,5,6,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|O<1>,2|H<1>,3|C<4>}	C[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[5](C[5]C[5,5,6,6]O)(N[5]C[5,6]S)(H)2{1|H<1>,3|C<4>}	111.9750	0.000	1	111.9750	0.000	1	111.9750	0.000	1	105.4659	5.006	28	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	3:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|H<1>,3|C<3>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){4|C<3>,5|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.3680	0.000	1	111.3680	0.000	1	111.3680	0.000	1	105.4659	5.006	28	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(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[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>}	107.7540	0.000	1	107.7540	0.000	1	107.7540	0.000	1	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3: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[5](C[5,6]C[5,6,6]O[6]O)(N[5]C[5,6]C)(H)2	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[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>}	108.2200	0.403	2	108.2200	0.162	2	108.2200	0.162	2	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3: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[5](C[5,6]C[5,6]O[6]H)(N[5]C[5,6]C)(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[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>}	106.2897	0.228	3	106.2897	0.052	3	106.3415	0.046	4	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3: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[5](C[5,6]C[5,6]C[6]H)(N[5]C[5,6]C)(H)2	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[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>}	106.4970	0.000	1	106.4970	0.000	1	106.3415	0.046	4	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5,6]C[5]H)(C[6]C[6]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	102.3360	0.000	1	102.3360	0.000	1	103.2213	0.688	3	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5]C[6]H)(C[6]C[6]CC)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(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[5](C[5]C[5,6]HS)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	103.3480	0.000	1	103.3480	0.000	1	103.2213	0.688	3	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-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[5]C[6]H)(C[6]C[6]HW)(N[5]C[5]C)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	103.9800	0.000	1	103.9800	0.000	1	103.2213	0.688	3	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[6,6]-4:C[5,6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2	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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{2|C<4>,2|H<1>}	107.8170	0.000	1	107.8170	0.000	1	107.8170	0.000	1	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO)	C[5,6](C[3,5,6]C[3,5]C[3,6]C[6a])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[3,5,6]C[3,5]C[3,6]C[6a])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	112.8990	0.000	1	112.8990	0.000	1	112.5115	0.300	2	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[3,5,6]-4:C[6]-4:N[5]-3:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO)	C[5,6](C[3,5,6]C[3,5]C[3,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[3,5,6]C[6]H)(C[5]C[3,5]HH)(SC[6a]OO){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]S)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[3,5]C[3,5,6]C[3,6]C)(N[5]C[5,6]S)(H)2{2|C<4>,3|H<1>}	112.1240	0.000	1	112.1240	0.000	1	112.5115	0.300	2	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[3x6]-4:C[5,6,6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[3x6]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6,6]C[3x6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|H<1>,5|C<4>}	C[5,6](C[3x6]C[4x6]C[6,6]H)(C[5,6,6]C[5,6]C[6]2)(N[5]C[5]S)(H){1|O<1>,2|C<3>,5|C<4>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]C)(N[5]C[5,6]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	110.2257	1.341	3	110.2257	1.798	3	110.2257	1.798	3	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6,6]-4:C[6]-4:N[5]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,2|C<3>,6|H<1>}	C[5](C[5,6]C[5,6,6]C[6]H)(N[5]C[5,6]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.8480	0.000	1	110.8480	0.000	1	110.8480	0.000	1	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCOO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SCOO){1|C<3>,1|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6,6a]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	109.4000	0.130	2	109.4000	0.017	2	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]CC)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){3|H<1>,4|C<4>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<2>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]CC)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	109.9410	0.820	2	109.9410	0.673	2	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]FH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|F<1>,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]S)(H){1|C<4>,1|F<1>,7|H<1>}	C[5](C[5]C[5,6]FH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	110.8560	0.000	1	110.8560	0.000	1	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|N<3>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	108.9480	0.000	1	108.7173	0.711	4	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	108.9390	1.236	2	108.7173	0.711	4	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){2|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	108.0430	0.000	1	108.7173	0.711	4	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|C<4>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]N[6]HH)(N[5]C[5]S)(H){1|S<4>,2|C<4>,5|H<1>}	C[5](C[5]C[5,6]CH)(N[5]C[5,6]S)(H)2{2|C<4>,2|H<1>}	111.2380	0.000	1	111.2380	0.000	1	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|O<2>,2|C<3>,4|H<1>}	C[5,6](C[5,6]C[5]C[6]O)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<1>,5|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5,6]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|O<2>}	111.4370	0.000	1	111.4370	0.000	1	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,3|H<1>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	110.4170	0.000	1	110.2680	1.779	3	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|N<3>,2|O<2>,4|H<1>}	C[5,6](C[5,6]C[5]N[6]H)(C[6]O[6]HH)(N[5]C[5]S)(H){1|C<3>,1|O<2>,4|H<1>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|N<3>,2|H<1>}	110.1935	1.877	2	110.2680	1.779	3	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5,6](C[5,6]C[6a]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){2|O<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]HO)(N[5]C[5,6]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	111.7730	0.510	5	111.7730	0.260	5	110.3553	1.811	19	109.1761	6.776	36	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(COO)(H)	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[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>}	105.8490	0.000	1	105.8490	0.000	1	105.8490	0.000	1	107.9574	7.598	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3: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[5](C[5]C[5,6]HO)(C[6a]C[6a]2)(N[5]C[5,6]C)(H)	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[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>}	104.3780	0.000	1	104.3780	0.000	1	104.3780	0.000	1	107.9574	7.598	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|H<1>,1|O<2>,2|C<4>}	108.7010	0.000	1	108.7010	0.000	1	109.3535	0.852	2	107.9574	7.598	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H)	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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	110.0060	0.000	1	110.0060	0.000	1	109.3535	0.852	2	107.9574	7.598	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:3:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,6]C[5]C[6]H)(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,7|H<1>}	C[5](C[5]C[5,6]HH)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){2|C<3>,2|C<4>,4|H<1>}	110.8530	0.000	1	110.8530	0.000	1	110.8530	0.000	1	107.9574	7.598	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	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[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	105.0300	0.000	1	105.0300	0.000	1	104.6870	1.931	5	104.6870	1.931	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H)	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[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CCHH)(H){1|C<4>,1|O<2>,2|H<1>}	104.0507	1.403	3	104.0507	1.969	3	104.6870	1.931	5	104.6870	1.931	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:1:	4:3:4:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[5,6]HO)(N[5]C[5,6]C)(CC[6a]HH)(H)	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[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>}	106.2530	0.000	1	106.2530	0.000	1	104.6870	1.931	5	104.6870	1.931	5	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:2:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,5,6]-4:C[6]-4:N[5]-3:O-2:	C[5]-4:N[5]-3: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[5](C[5]C[5,5,6]HH)(N[5]C[5,6]C)(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[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>}	103.7525	0.510	2	103.7525	0.260	2	103.7525	0.260	2	103.7525	0.260	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:3:	3:3:1:1:	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[5]-3: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[5](N[5]C[5,6]C)(C[5]C[5]H)(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[5](N[5]C[5,6]C)(C[5]C[5]H)(H)2{1|H<1>,2|C<4>}	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	106.2250	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	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[5]-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[5](N[5]C[5,6]C)(C[5]C[5]HH)(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[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.4670	0.000	1	107.4670	0.000	1	107.4670	0.000	1	107.6610	0.075	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:3:	3:4:1:1:	C[5,6]-4:C[5]-4:S-4:	C[6]-4:C[6]-4:C[5]-3:N[5]-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO)	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(N[5]C[5]S)	C[5](N[5]C[5,6]S)(C[5]C[5]CH)(H)2	N[5](C[5,6]C[5]C[6]2)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,3|C<4>,5|H<1>}	C[5,6](C[6]C[6]HH)2(C[5]C[5]C)(N[5]C[5]S){2|C<4>,7|H<1>}	C[5](N[5]C[5,6]S)(C[5]C[5]CH)(H)2{1|C<3>,2|C<4>}	107.8550	0.000	1	107.8550	0.000	1	107.8550	0.000	1	107.6610	0.075	2	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:3:4:	4:3:1:1:	C[5,6]-4:C[5]-4:C-4:	C[5,6]-4:C[6]-4:N[5]-3:C-4:	C[5]-4:N[5]-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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(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[5](C[5]C[5,6]HH)(N[5]C[5,6]C)(H)2{1|H<1>,3|C<4>}	106.9130	0.000	1	106.9130	0.000	1	106.9130	0.000	1	106.9130	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	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[5]-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[5](N[5]C[5,6]C)(C[5]C[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[5](N[5]C[5,6]C)(C[5]C[5]HH)(H)2{2|C<4>,2|H<1>}	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	107.9590	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5,6]	C[5]	4:4:4:	4:4:4:3:	3:4:3:1:	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[5]-4:C-3: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[5](N[5]C[5,6]C)(C[5]C[5]HH)(COO)(H)	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[5](N[5]C[5,6]C)(C[5]C[5]HH)(COO)(H){2|C<4>,2|H<1>}	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	108.9870	0.000	1	108.0044	6.294	259	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:1:	4:3:3:1:	3:4:3:3:	C[5,5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:C[5]-4:C[5]-3:N[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,7|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|N<3>,1|O<1>,3|H<1>,7|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(C[5]C[5,5]CH)(C[5]N[5]O)(N[5]C[5]H){3|H<1>,5|C<3>}	106.0700	0.000	1	106.0700	0.000	1	106.0700	0.000	1	106.0700	0.000	1	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:1:	4:3:3:1:	4:4:3:3:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:C[5]-4:N[5]-3:C-3:	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5,5]C[5]2H)(C[5]S[5]HH)(N[5]C[5]H)(COO)	N[5](C[5,5]C[5,5]C[5]C)(C[5]C[6a]C[5]H)(H){1|C<4>,1|S<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,5](C[5,5]C[5]2H)(C[5]S[5]HH)(N[5]C[5]H)(COO){1|C<3>,5|H<1>}	105.8350	0.000	1	105.8350	0.000	1	105.8350	0.000	1	107.3040	4.316	2	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:1:	4:3:3:1:	4:4:3:3:	C[5]-4:C[5,5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-4:C[5]-3:N[5]-3:	N[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H)	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H)	N[5](C[5]C[5,5]C[6a]H)(C[5,5]C[5]3)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5,5]H)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[5,5](C[5]C[5,5]HH)(C[5]C[5]HH)(C[5]O[5]O)(N[5]C[5]H){1|C<4>,2|C<3>,3|H<1>}	108.7730	0.000	1	108.7730	0.000	1	108.7730	0.000	1	107.3040	4.316	2	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:1:	4:3:3:3:	4:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:C-3:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]C)(H)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO)	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[6a]C[5]C)(H){2|H<1>,6|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5,5]H)(COO){2|H<1>,2|N<3>,4|C<3>}	C[5,5](C[5,5]C[5,6a]C[5]C)(N[5]C[5,6a]C)(N[5]C[5]H)(H){2|H<1>,4|C<3>}	112.5580	0.133	4	112.5580	0.018	4	112.5580	0.018	4	112.5580	0.018	4	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:1:	4:3:4:4:	3:3:3:1:	C[5,5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-4:	N[5,5]-3:N[5]-3:N[5]-3:H-1:	N[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CC)(H)	C[5](C[5]N[5,5]CC)(N[5]C[5,5]H)(CH3)2	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H)	N[5](C[5,5]N[5,5]N[5]H)(C[5]C[5]CC)(H){1|Pt<4>,1|C<3>,1|O<2>,2|C<4>}	C[5](C[5]N[5,5]CC)(N[5]C[5,5]H)(CH3)2{1|H<1>,1|N<3>,1|O<2>}	C[5,5](N[5,5]C[5]O[5])(N[5]C[5]Pt)(N[5]C[5]H)(H){5|C<4>}	108.6385	0.383	2	108.6385	0.146	2	108.6385	0.146	2	108.6385	0.146	2	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:3:	4:3:3:1:	3:3:4:3:	C[5,5]-4:C[5]-4:C[6a]-3:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5]-3:C[5]-4:C[5]-3:	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H)	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O)	N[5](C[5,5]C[5,6a]C[5]2)(C[5]C[5,5]C[6a]H)(C[6a]C[6a]2){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5,5]C[6a])(C[6a]C[6a]2)(H){1|N<3>,1|O<1>,4|H<1>,8|C<3>}	C[5,5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(C[5]C[5,5]HH)(C[5]N[5]O){3|H<1>,7|C<3>}	106.9120	0.064	2	106.9120	0.004	2	106.9120	0.004	2	106.9120	0.004	2	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:4:	3:4:3:1:	3:3:3:2:	C[5,5]-4:C[5]-4:C-4:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:N[5]-3:N[5]-3:O[5]-2:	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[5,5](N[5]C[5]C)3(O[5]C[5])	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[5,5](N[5]C[5]C)3(O[5]C[5]){4|C<3>,4|H<1>}	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	109.8990	0.000	1	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:4:	4:3:1:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:N[5]-3: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[5,5](N[5,5]C[5]2)(C[5]C[5]CC)(N[5]C[5]C)(H)	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[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>}	103.7960	0.000	1	103.7960	0.000	1	105.3615	4.902	2	105.3615	4.902	2	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:4:	4:3:1:1:	3:4:3:1:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5,5]-3:C[5]-4:N[5]-3: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[5,5](N[5,5]C[5]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	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[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>}	106.9270	0.000	1	106.9270	0.000	1	105.3615	4.902	2	105.3615	4.902	2	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:4:	4:3:1:1:	4:3:2:4:	C[5,5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5,5]-4:N[5]-3:O[5]-2:C-4:	N[5](C[5,5]C[3,5,5]O[5]C)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5,5]S)(H)2	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3)	N[5](C[5,5]C[3,5,5]O[5]C)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5,5]C[3,5]H)(N[5]C[5,5]S)(H)2{1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[5,5](C[3,5,5]C[3,5]2C[6a])(N[5]C[5]S)(O[5]C[5])(CH3){2|C<3>,6|H<1>}	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	112.0460	0.000	1	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5,5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:N[5]-3:H-1:	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5,5]HH)(SCOO)	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,5]S)(H)2	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)	N[5](C[5,5]C[5,5]N[5]H)(C[5]C[5,5]HH)(SCOO){2|C<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C[5])(N[5]C[5,5]S)(H)2{1|C<4>,1|H<1>,1|O<1>,2|N<3>,3|C<3>}	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>}	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	107.3850	0.000	1	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:4:	4:3:1:1:	4:4:4:3:	C[5,5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[5]-4:C[5]-4:N[5]-3:	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SO3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2	C[5,5](C[5]C[5]HH)3(N[5]C[5]S)	N[5](C[5,5]C[5]3)(C[5]C[5]HH)(SO3){1|C<3>,2|C<4>,7|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5,5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5,5](C[5]C[5]HH)3(N[5]C[5]S){1|C<3>,7|H<1>}	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	3:3:3:2:	C[5,5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:N[5]-3:O[5]-2:	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[5,5](N[5]C[5]C)3(O[5]C[5])	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[5,5](N[5]C[5]C)3(O[5]C[5]){4|C<3>,4|H<1>}	109.8960	1.655	2	109.8960	2.738	2	109.8960	2.738	2	109.8960	2.738	2	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,5]	4:4:4:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5,5]-4:C-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:C[5]-3:C[5]-3:N[5]-3:	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[5,5](C[5]C[5,6]HH)(C[5]C[5,6a]O)2(N[5]C[5]C)	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[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>}	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	107.8060	0.000	1	109.1140	7.429	20	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,6]	4:4:1:	3:3:3:1:	3:3:2:2:	C[5,6]-4:C[5]-4:H-1:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:S[6]-2:S[6]-2:	N[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(H)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2	N[5](C[5,6]C[5]S[6]2)(C[5]C[6a]C[5]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5,6]H)(H){2|S<2>,3|H<1>,4|C<3>}	C[5,6](C[5]C[5]H)(N[5]C[5]H)(S[6]C[6])2{1|C<4>,2|C<3>,5|H<1>}	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	110.4920	0.000	1	110.1573	1.979	6	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,6]	4:4:1:	4:3:3:1:	4:3:3:3:	C[5,6]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-3:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]C[6a]H)(H)	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,5]C[6a]H)(H){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	C[5](C[5,5]C[5,6]C[5]2)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|O<2>,2|H<1>,2|O<1>,7|C<3>}	C[5,6](C[5,6]C[6,6a]C[5,5]H)(C[6]O[6]O)(N[5]C[5]H)(COO){1|H<1>,5|C<3>}	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	109.6890	0.000	1	110.1573	1.979	6	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,6]	4:4:1:	4:3:3:1:	4:3:3:4:	C[5,6]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:C-4:	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H)	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3)	N[5](C[5,6]C[5,6]C[6]C)(C[5]C[5,6]C[6a]H)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5,6]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[5,6]HH)(C[6]N[6]O)(N[5]C[5]H)(CH3){2|C<3>,3|H<1>}	108.8390	0.000	1	108.8390	0.000	1	108.8390	0.000	1	108.8390	0.000	1	110.1573	1.979	6	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,6]	4:4:4:	3:3:3:1:	3:4:3:1:	C[5,6]-4:C[5]-4:S-4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:C[6]-4:N[5]-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H)	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[6a]C[5]H)(SC[6a]OO){2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5,6]H)(C[6a]C[6a]2)(N[5]C[5,6]S)(H){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[6]HH)(N[5]C[5]S)(H){1|C<3>,1|C<4>,6|H<1>}	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	112.5560	0.000	1	110.1573	1.979	6	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5,6]	4:4:4:	4:3:1:1:	4:4:3:1:	C[5,6]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:C[6]-4:N[5]-3:H-1:	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H)	N[5](C[5,6]C[5,6]C[6]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|O<2>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5,6]S)(H)2{1|O<2>,1|S<4>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6]HO)(C[6]C[6]HO)(N[5]C[5]S)(H){1|N<3>,5|H<1>}	109.6840	1.274	2	109.6840	1.624	2	109.6840	1.624	2	109.6840	1.624	2	110.1573	1.979	6	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5]-3:C[5]-3:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH)	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2	C[5](N[5]C[6a]C[5])(C[5]N[5]Ir)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HH){1|Ir<6>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(N[5]C[5]C[6])(H)2{1|Ir<6>,1|N<3>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]Ir)(H)2{2|H<1>,3|C<3>}	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	110.5720	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:3:3:1:	3:3:3:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-3:C-3:H-1:	N[5]-3:N[5]-3:C-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(COO)(H)	C[5](N[5]C[6a]C[5])2(COO)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]N[5]CH){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]C)(COO)(H){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2(COO)(H){1|H<1>,6|C<3>}	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	111.2140	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:3:3:3:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:N[5]-3:C-3:C-3:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(COO)2	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CC){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(COO)2{1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,4|C<3>}	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	110.1860	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:3:3:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:C-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]CH){3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])2(CC[6a]O)(H){4|C<3>,4|H<1>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.4653	1.398	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:3:3:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:P-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])2(PHH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]N[5]HP){2|C<4>,2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,1|P<3>,3|C<3>}	C[5](N[5]C[6a]C[5])2(PHH)(H){4|C<3>,4|H<1>}	110.3655	1.654	2	110.3655	2.735	2	110.3655	2.735	2	110.4653	1.398	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6a]N[6])(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6a]N[6])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	110.3040	0.000	1	110.3040	0.000	1	110.3040	0.000	1	108.4039	4.498	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[5,6a]C[6a])(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	104.5210	0.000	1	104.5210	0.000	1	108.2139	4.557	10	108.4039	4.498	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[5a,6a]N[6a])(C[5]C[5]HH)2{3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	109.4890	0.000	1	109.4890	0.000	1	108.2139	4.557	10	108.4039	4.498	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a,6a]N[6a])(C[5]C[5]HH)2{1|N<3>,2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<3>,1|N<2>,4|H<1>}	109.7650	0.000	1	109.7650	0.000	1	108.2139	4.557	10	108.4039	4.498	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CH)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CO)(H)2{3|C<3>,3|H<1>}	109.0720	0.000	1	109.0720	0.000	1	108.2139	4.557	10	108.4039	4.498	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|H<1>,1|N<3>,2|C<3>,4|F<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2{2|C<3>,2|F<1>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]FF)(H)2{2|C<3>,2|F<1>,2|H<1>}	106.1510	0.709	2	106.1510	0.502	2	108.2139	4.557	10	108.4039	4.498	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<3>,1|O<1>,1|O<2>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	110.9500	0.000	1	109.2475	3.106	4	108.2139	4.557	10	108.4039	4.498	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|C<4>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	108.4975	2.292	2	109.2475	3.106	4	108.2139	4.557	10	108.4039	4.498	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]HH)2{1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{2|C<3>,4|H<1>}	109.0450	0.000	1	109.2475	3.106	4	108.2139	4.557	10	108.4039	4.498	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:2:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:O-2:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]HH)(C[5]C[5]HO){3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(ON)(H){2|C<3>,4|H<1>}	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	110.8560	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:1:1:	3:4:4:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)(C[5]C[5]HH){2|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CCCH)(H){2|C<3>,4|H<1>}	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	110.6650	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:3:1:	3:4:1:1:	C[6]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]N[6])(C[5]C[5]CH)(C[5]C[5]HH){1|O<1>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){1|C<3>,1|N<3>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|N<3>,2|C<3>,3|H<1>}	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	110.1830	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:3:1:	3:4:4:4:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-3:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	110.4910	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	106.0150	0.000	1	106.0150	0.000	1	104.5263	1.813	3	104.5263	1.813	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CH)2{3|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	103.7820	0.550	2	103.7820	0.303	2	104.5263	1.813	3	104.5263	1.813	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:1:	3:4:4:4:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]CH){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(CC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,2|C<3>,3|C<4>}	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	109.5840	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:4:	3:4:3:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:N-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(NC[6a]2)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HN){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(NC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	113.5740	0.000	1	113.5740	0.000	1	113.5740	0.000	1	112.5745	1.998	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:4:	3:4:3:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:P-3:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]CC)(C[5]C[5]HP){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	112.5745	1.998	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	3:4:4:4:	3:4:4:1:	C[6a]-3:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:B-4:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H)	N[5](C[6a]C[6a]2)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|B<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(BN[6]HH)(H){2|C<3>,2|C<4>,2|H<1>}	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,4|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.5270	0.000	1	111.5270	0.000	1	111.4250	0.021	2	111.4250	0.021	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	3:4:4:	4:3:4:1:	3:4:1:1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH)	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[6a]C[6a]2)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,7|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){2|C<4>,3|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.3230	0.000	1	111.3230	0.000	1	111.4250	0.021	2	111.4250	0.021	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:2:4:	3:4:4:1:	C[5]-4:C[6a]-3:C[5]-4:	C[5a]-3:N[5]-3:O[5]-2:C-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3)	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H)	N[5](C[5]C[5a]O[5]C)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,3|C<3>,4|H<1>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(O[5]C[5])(CCl3){1|C<4>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]HH)(CCCH)(H){1|C<4>,3|C<3>}	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	109.6090	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:3:3:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-3:H-1:	N[5]-3:C[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]C)(H){3|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]C)(COO)(H){1|H<1>,4|C<3>}	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	110.4860	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(H)2{1|H<1>,1|S<4>,3|C<3>}	110.9160	0.000	1	110.9160	0.000	1	110.9160	0.000	1	109.4630	4.222	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:N[5]-3:C[6a]-3:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){2|F<1>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])2(C[6a]C[6a]2)(H){6|C<3>,6|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|H<1>,4|C<3>}	108.0100	0.000	1	108.0100	0.000	1	108.0100	0.000	1	109.4630	4.222	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:4:4:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CC)(CF3)(H){2|H<1>,3|C<3>}	110.0100	0.000	2	110.0100	0.000	2	110.0840	0.016	3	110.0840	0.016	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:4:4:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CBrFF)(H){2|H<1>,3|C<3>}	110.2320	0.000	1	110.2320	0.000	1	110.0840	0.016	3	110.0840	0.016	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:3:1:	3:4:4:3:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:C-4:C-3:	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CF3)(COO)	N[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){4|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]CH)(CF3)(COO){2|H<1>,3|C<3>}	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	109.9770	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:3:2:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[6a]-3:O[5]-2:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5])	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2	N[5](C[5]C[6a]2O[5])(C[6a]C[6a]2)(C[5]C[5]HH){2|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)2(O[5]C[5]){1|C<4>,6|C<3>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[5]O[5]CH)(H)2{4|C<3>}	102.3800	0.000	1	102.3800	0.000	1	102.3800	0.000	1	102.3800	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:3:3:2:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[5]-3:C-3:O-2:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(COO)(OSi)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CO){1|O<1>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]O)(COO)(OSi){3|C<3>,3|H<1>}	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	114.5560	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	C[5a]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(H)2{3|C<3>,3|H<1>}	104.2570	0.000	1	104.2570	0.000	1	104.2570	0.000	1	104.2570	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:3:4:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5a]-3:N[5]-3:C[5]-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]N[5a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){2|H<1>,4|C<3>,4|C<4>}	C[5](N[5a]C[5a,6a]2)(N[5]C[6a]C[5])(C[5]C[5]CC)(H){2|C<4>,2|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	113.9000	0.000	1	113.9000	0.000	1	113.9000	0.000	1	113.9000	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:1:1:	3:3:4:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[6]-3:N[5]-4:H-1:	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]ZnC)(H)	N[5](C[5]C[6]N[5]H)(C[6a]C[6a]2)(C[5]C[5]HH){1|Zn<5>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[5](N[5]C[6a]C[5])(C[5]N[5]HH)(H)2{1|Zn<5>,1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6]C[6]N[6])(N[5]C[5]ZnC)(H){4|C<3>,5|H<1>}	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	109.8090	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:4:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Ga-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]ClH)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	111.1770	0.000	1	111.1770	0.000	1	111.1770	0.000	1	111.1605	0.001	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:4:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:Si-4:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiC[5]Cl2)(H){2|C<3>,2|C<4>,2|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	111.1440	0.000	1	111.1440	0.000	1	111.1440	0.000	1	111.1605	0.001	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:4:4:	3:4:4:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:Ga-4:H-1:	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H)	N[5](C[5]C[5]GaH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(GaC[5]HH)(H){2|C<3>,2|C<4>,2|H<1>}	111.0725	0.144	4	111.0725	0.021	4	111.0725	0.021	4	111.0016	0.041	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:4:4:	3:4:4:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:Si-4:H-1:	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H)	N[5](C[5]C[5]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]HH)(CH3)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(SiCl2N)(H){2|C<3>,2|C<4>,2|H<1>}	110.7180	0.000	1	110.7180	0.000	1	110.7180	0.000	1	111.0016	0.041	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	3:4:4:4:	4:3:4:1:	C[5]-4:C[6a]-3:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	C[5,6]-4:N[5]-3:Si-4:H-1:	N[5](C[5]C[5,6]SiH)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H)	N[5](C[5]C[5,6]SiH)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(SiSi3)(H){2|C<3>,4|C<4>,6|H<1>}	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	111.2590	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH)	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(C[5]N[5]HH){2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(N[5]C[6a]C[5])(H)2{1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[5](N[5]C[5,5]C[6a])(N[5]C[6a]C[5])(H)2{2|H<1>,6|C<3>}	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	107.1530	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:1:1:	3:4:1:1:	C[5]-4:C[6a]-3:C[5]-4:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2	N[5](C[5]C[3,5]HH)(C[6a]C[6a]2)(C[5]C[5]HH){1|Cl<1>,1|F<1>,1|H<1>,1|N<4>,2|C<3>,2|C<4>}	C[5](C[3,5]C[3]2C[5])(N[5]C[6a]C[5])(H)2{1|N<4>,2|C<3>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[3,5]HN)(H)2{2|C<3>,2|C<4>,2|H<1>}	110.1690	0.000	1	110.1690	0.000	1	110.1690	0.000	1	110.1690	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:2:3:3:	C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:N[5]-3:C[6a]-3:H-1:	N[5]-3:S[5]-2:C-3:C-3:	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]S[5]CC)	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(COO)2	N[5](C[5]C[5,5]C[6a]H)(C[6a]C[6a]2)(C[5]S[5]CC){2|H<1>,6|C<3>}	C[5](C[5,5]C[5,6a]2S[5])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){10|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(S[5]C[5,5])(COO)2{1|H<1>,5|C<3>}	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	109.6410	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:3:2:1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:C[6a]-3:O[5]-2:H-1:	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5]C[5]O[5]H)(N[5]C[6a]C[5])(COO)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H)	N[5](C[5]C[6a]O[5]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]O[5]H)(N[5]C[6a]C[5])(COO)(H){1|Fe<10>,1|H<1>,2|C<4>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(O[5]C[5])(H){1|C<4>,4|H<1>,5|C<3>}	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:4:3:1:	C[5]-4:C[6a]-3:C[5]-4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH)	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H)	N[5](C[5]C[5,5]C[5a]H)(C[6a]C[6a]2)(C[5]C[5]CH){1|S<2>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(H){1|N<3>,1|O<1>,4|H<1>,7|C<3>}	C[5](N[5]C[6a]C[5])(C[5]C[5,5]HH)(CCH)(H){1|H<1>,5|C<3>}	112.0900	0.000	1	112.0900	0.000	1	112.0900	0.000	1	112.0900	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:C[5]-3:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	N[5](C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(C[5]C[5]CC){1|N<3>,2|H<1>,3|C<3>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(C[5]C[5]N[5])(H){1|C<2>,1|N<3>,3|C<3>,4|C<4>,7|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,2|C<4>,3|C<3>}	111.9300	0.000	1	111.9300	0.000	1	111.9300	0.000	1	111.7717	2.555	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:N-3:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	N[5](C[5]C[5,6]HN)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(NC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	113.2850	0.000	1	113.2850	0.000	1	113.2850	0.000	1	111.7717	2.555	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:3:1:	3:4:4:4:	C[5]-4:C[6a]-3:C[5]-4:	C[5,6]-4:N[5]-3:P-3:H-1:	N[5]-3:C[5]-4:C-4:C-4:	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC)	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2	N[5](C[5]C[5,6]HP)(C[6a]C[6a]2)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[5]C[5,6]HH)(CH3)2{1|H<1>,1|P<3>,2|C<3>,2|C<4>}	110.1000	0.000	1	110.1000	0.000	1	110.1000	0.000	1	111.7717	2.555	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:3:4:	4:3:4:1:	3:3:4:1:	C[5]-4:C[6a]-3:C[5]-4:	C[5]-4:N[5]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H)	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)(C[6a]C[6a]2)(C[5]C[5]2H){1|C<4>,5|C<3>,7|H<1>}	C[5](C[5]C[5,6a]C[5]H)(N[5]C[6a]C[5])(C[5]C[5]HH)(H){1|C<4>,5|C<3>,5|H<1>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){1|C<4>,4|C<3>,5|H<1>}	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	111.1210	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:2:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6]S[5]H)(C[5]C[5]HH)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6]S[5]H)(C[5]C[5]HH)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]H)(S[5]C[5])(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	111.0520	0.000	1	111.0520	0.000	1	111.0520	0.000	1	109.4150	5.360	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:2:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]S[5]H)(C[5]C[5]HH)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H){2|C<3>,6|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|H<1>}	107.7780	0.000	1	107.7780	0.000	1	107.7780	0.000	1	109.4150	5.360	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(S[5]C[5])(H){2|Cl<1>,3|C<3>,3|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(COO)(H){1|C<3>,1|H<1>}	107.7040	0.000	1	107.7040	0.000	1	108.4205	1.027	2	108.4205	1.027	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]CC)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(H){1|C<3>,1|N<2>,2|C<4>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,2|H<1>,3|C<3>}	C[5](C[5]S[5]CC)(N[5]C[5]H)(COO)(H){1|C<3>,1|H<1>}	109.1370	0.000	1	109.1370	0.000	1	108.4205	1.027	2	108.4205	1.027	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	3:3:3:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]C[5]H)(N[5]C[5]H)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]H)(H){3|H<1>,4|C<3>}	C[5](C[5]C[5]H)(N[5]C[5]H)(COO)2{1|H<1>,2|C<3>}	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	109.8800	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,1|O<1>,2|C<3>}	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[5](C[5]N[5]O)(N[5]C[5]H)(CC[6a]HH)(H){1|C<3>,1|C<4>,1|H<1>}	106.9120	0.000	1	106.9120	0.000	1	107.2475	3.230	4	107.2475	3.230	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|N<2>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(H){1|C<3>,1|H<1>,1|N<2>}	107.0910	3.018	2	107.0910	9.108	2	107.2475	3.230	4	107.2475	3.230	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|N<2>,1|O<1>,2|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)(N[5]C[5]N)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCHH)(H){1|C<3>,1|H<1>,1|N<2>}	107.8960	0.000	1	107.8960	0.000	1	107.2475	3.230	4	107.2475	3.230	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	3:3:4:4:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H)	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)2(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[5](C[5]N[5]O)(N[5]C[5]H)(CCCH)(CH3){1|C<3>,2|H<1>}	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	109.8290	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|H<1>,2|C<3>,2|C<4>}	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[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	103.9245	0.110	2	103.9245	0.012	2	104.7387	0.536	9	104.7387	0.536	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){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){2|C<3>,6|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	105.2422	0.383	5	105.2422	0.147	5	104.7387	0.536	9	104.7387	0.536	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]C)(N[5]C[5]H)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	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[5](C[5]N[5]CH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	104.2940	0.834	2	104.2940	0.696	2	104.7387	0.536	9	104.7387	0.536	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H)	C[5](C[5]C[5a]N[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CH)(H){1|H<1>,1|S<2>,3|C<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H){3|H<1>,6|C<3>}	C[5](C[5]C[5a]N[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|S<2>,3|C<3>}	103.1030	0.000	1	103.1030	0.000	1	103.1030	0.000	1	104.6735	4.933	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]N[5]CC)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|C<4>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,3|H<1>,6|C<3>}	C[5](C[5]N[5]CC)(N[5]C[5]H)(COO)(H){1|H<1>,2|C<3>}	106.2440	0.000	1	106.2440	0.000	1	106.2440	0.000	1	104.6735	4.933	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[3,5]-3:N[5]-3:H-1:	C[3,5]-4:N[5]-3:C-4:C-3:	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H)	C[5](C[6a]C[6a,6a]C[6a])(N[3,5]C[3,5]C[3])(N[5]C[5]H)(H)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CH3)(COO)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H){1|C<4>,3|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(N[3,5]C[3,5]C[3])(N[5]C[5]H)(H){1|C<4>,2|H<1>,6|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CH3)(COO){2|H<1>,4|C<3>}	106.2410	0.000	1	106.2410	0.000	1	106.2410	0.000	1	106.4412	0.043	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	N[3,5]-3:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:N[5]-3:C-4:C-3:	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H)	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CCHH)(COO)	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]CC)(H){1|C<4>,3|C<3>}	C[5](N[3,5]C[3,5]C[3])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|C<3>,4|H<1>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[5]H)(CCHH)(COO){3|C<3>,3|H<1>}	106.7320	0.000	1	106.7320	0.000	1	106.7320	0.000	1	106.4412	0.043	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]N[5]CH)(N[5]C[5]H)(CH3)(COO)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H){1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|H<1>,5|C<3>}	C[5](C[5]N[5]CH)(N[5]C[5]H)(CH3)(COO){1|H<1>,2|C<3>}	106.3960	0.000	2	106.3960	0.000	2	106.3960	0.000	2	106.4412	0.043	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:3:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	N[5]-3:N[5]-3:C-3:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(COO)2	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CC)(H){1|C<3>,2|H<1>}	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(COO)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHO)(H){3|C<3>}	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	109.8410	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:4:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]O)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H){1|C<3>,1|N<2>,1|O<1>,1|O<2>}	C[5](C[6a]C[6a]N[6a])(N[5]C[5]H)(N[5]C[5]O)(CH3){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|O<2>}	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	108.0800	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:3:4:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:N[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]N[5]C)(C[5]C[5]HH)(H){2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]H)2(CF3){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,1|H<1>}	106.4845	2.545	2	106.4845	6.476	2	106.4845	6.476	2	106.4845	6.476	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:3:	3:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5,6]-3:N[5]-3:C-4:C-3:	C[5,6]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CH3)(COO)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H)	N[5](C[5]C[5,6]CC)(C[5]C[5,6]CH)(H){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CH3)(COO){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]H)(CC3)(H){1|C<4>,1|O<1>,3|C<3>}	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	112.2060	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:H-1:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5,6a]CC)2(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2	N[5](C[5]C[5,6a]CC)2(H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(CCHH)2{1|H<1>,2|C<3>,2|C<4>}	112.6700	0.000	1	112.6700	0.000	1	112.6700	0.000	1	112.6700	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(H){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<3>,1|N<2>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,3|H<1>}	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	105.2290	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)2(H){1|C<4>,2|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	104.4047	0.805	3	104.4047	0.648	3	104.4047	0.648	3	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	C[5](C[6a]C[6a,6a]C[6a])(C[5]C[5]CC)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	104.8700	0.000	1	104.8700	0.000	1	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H)	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|Si<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]H)(H){1|Cl<1>,1|Si<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	112.4710	0.000	1	112.4710	0.000	1	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,2|C<3>,3|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]H)(COO)(H){1|C<3>,1|C<4>,2|H<1>}	105.2890	0.000	1	105.2890	0.000	1	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(CN[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(CN[5]O)(H){2|C<3>,2|H<1>}	103.9770	0.000	1	103.9770	0.000	1	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|C<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){1|C<2>,1|C<3>,2|H<1>}	111.7440	0.000	1	107.0107	16.890	3	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	104.3490	0.000	1	107.0107	16.890	3	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	104.9390	0.000	1	107.0107	16.890	3	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	110.1270	0.000	1	110.1270	0.000	1	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){2|H<1>,4|C<3>}	108.9128	2.271	5	108.9128	5.159	5	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]H)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	107.0100	0.000	1	107.0100	0.000	1	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	106.3550	0.000	1	106.3550	0.000	1	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){1|Br<1>,1|C<4>,2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	106.0210	0.000	1	106.0210	0.000	1	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){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]H)(H){1|O<2>,3|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,2|H<1>,3|C<3>}	107.3180	0.000	1	107.3180	0.000	1	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H)	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){2|C<3>,2|H<1>,2|S<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]H)(H){1|S<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]H)(COO)(H){1|C<3>,1|S<4>,2|H<1>}	104.1340	0.000	1	104.1340	0.000	1	107.3982	7.992	18	106.9706	8.010	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2{2|C<3>,2|H<1>}	110.9370	1.224	3	110.9370	1.497	3	110.3443	3.218	6	110.3443	3.218	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){1|N<3>,3|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2{2|C<3>,2|H<1>}	107.2910	0.000	1	109.6245	10.890	2	110.3443	3.218	6	110.3443	3.218	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2{2|C<3>,2|H<1>}	111.9580	0.000	1	109.6245	10.890	2	110.3443	3.218	6	110.3443	3.218	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	110.0060	0.000	1	110.0060	0.000	1	110.3443	3.218	6	110.3443	3.218	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]H)(H){2|H<1>,3|C<3>,3|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	105.8630	0.000	1	105.8630	0.000	1	107.9815	8.976	2	107.9815	8.976	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HH)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[5](C[6a]C[6a]N[6a])(C[5]C[5]CH)(N[5]C[5]H)(H){1|C<4>,3|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HH)(COO){1|C<2>,1|C<3>,2|H<1>}	110.1000	0.000	1	110.1000	0.000	1	107.9815	8.976	2	107.9815	8.976	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	3:4:3:3:	3:3:1:1:	C[5]-4:C[5]-4:H-1:	C[6a]-3:C[5]-4:N[5]-3:C-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H)	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]H)(COO)	C[5](N[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(H){1|C<4>,1|S<4>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]N[5]CC)(N[5]C[5]H)(COO){1|S<4>,2|C<3>,4|H<1>}	C[5](N[5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,3|C<3>}	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.4360	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-3:N[5]-4:N[5]-3:H-1:	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]CuC)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]CuC)(N[5]C[5]H)(H){2|C<3>,5|H<1>}	104.6135	1.790	2	104.6135	3.203	2	104.2605	1.795	4	104.2605	1.795	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	3:4:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[6]-3:N[5]-4:N[5]-3:H-1:	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2	C[5](C[6]C[6]N[6])(N[5]C[5]MnC)(N[5]C[5]H)(H)	N[5](C[5]C[6]N[5]H)(C[5]C[5]HH)(H){1|Mn<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(H)2{1|Mn<6>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[6]C[6]N[6])(N[5]C[5]MnC)(N[5]C[5]H)(H){2|C<3>,5|H<1>}	103.9075	1.298	2	103.9075	1.684	2	104.2605	1.795	4	104.2605	1.795	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)2(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(H)2{1|C<3>,1|N<2>,4|H<1>}	104.5680	0.000	1	104.5680	0.000	1	104.7430	0.061	2	104.0575	1.188	19	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)2(H){1|C<4>,1|S<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|N<3>,1|S<4>,4|H<1>}	C[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]H)(H)2{2|C<4>,2|O<1>,3|H<1>}	104.9180	0.000	1	104.9180	0.000	1	104.7430	0.061	2	104.0575	1.188	19	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	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(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]HH)2(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{4|H<1>}	103.9768	1.126	17	103.9768	1.267	17	103.9768	1.267	17	104.0575	1.188	19	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H){2|C<3>,2|C<4>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(H)2{1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[5](C[5]C[5,5]CC)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	108.0950	0.000	1	108.0950	0.000	1	108.0950	0.000	1	107.9928	2.210	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CNO)(H){4|H<1>}	107.9037	1.745	6	107.9037	3.045	6	107.9781	2.576	7	107.9928	2.210	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)(H){4|H<1>}	108.4250	0.000	1	108.4250	0.000	1	107.9781	2.576	7	107.9928	2.210	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(H){1|H<1>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]H)(CH3)(H){1|C<3>,1|N<2>,4|H<1>}	104.0290	0.000	1	104.0290	0.000	1	104.0290	0.000	1	104.0290	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]CH)(COO){4|H<1>}	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.2640	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:2:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]S[5]H)(C[5]C[5]HH)(H)	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]S[5]H)(C[5]C[5]HH)(H){1|N<3>,1|S<2>,3|H<1>}	C[5](C[5]N[5]S[5]H)(N[5]C[5]H)(S[5]C[5])(H){2|C<4>,5|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]H)(H)2{1|C<4>,1|H<1>}	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	110.2020	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	3:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[5]-4:N[5]-3:	N[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(N[5]C[5]H)	N[5](C[5]C[6a]2C[5])(C[5]C[5]CH)(H){1|N<3>,2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)2(C[5]C[5]HN)(N[5]C[5]H){6|C<3>,6|H<1>}	106.3390	1.506	2	106.3390	2.268	2	106.3390	2.268	2	106.3390	2.268	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	3:4:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[5a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[5a]C[5]H)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>,2|N<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	106.5860	0.000	1	106.5860	0.000	1	104.9670	2.398	3	104.9670	2.398	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	3:4:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|N<3>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]O)(H){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]H)(H){4|C<3>,4|H<1>}	104.8150	0.000	1	104.8150	0.000	1	104.9670	2.398	3	104.9670	2.398	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	3:4:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]FN)(N[5]C[5]H)(H){4|C<3>,4|H<1>}	103.5000	0.000	1	103.5000	0.000	1	104.9670	2.398	3	104.9670	2.398	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(H){1|N<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]N[6a])(N[5]C[5]H)(H){1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(H)2{1|N<3>,1|O<1>,2|C<3>,2|H<1>}	106.0640	0.000	1	106.0640	0.000	1	106.0640	0.000	1	106.8135	1.124	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]CH)(H){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]H)(H)2{1|O<1>,2|H<1>,4|C<3>}	107.5630	0.000	1	107.5630	0.000	1	107.5630	0.000	1	106.8135	1.124	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[4,5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[4,5]CH)(H)	C[5](C[4,5]C[4]2C[5])(N[5]C[5]H)(COO)(H)	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[4,5]CH)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[5](C[4,5]C[4]2C[5])(N[5]C[5]H)(COO)(H){1|C<2>,1|C<3>,1|N<3>,6|H<1>}	C[5](C[5]C[4,5]CH)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<4>,3|C<3>,3|H<1>}	110.7210	0.788	2	110.7210	0.620	2	110.7210	0.620	2	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CNO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){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]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CNO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	105.1690	0.000	1	105.1690	0.000	1	105.2126	5.792	5	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){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]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	103.6970	0.000	1	103.9207	1.398	3	105.2126	5.792	5	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){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]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	105.1990	0.000	1	103.9207	1.398	3	105.2126	5.792	5	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){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]H)(H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(COO)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	102.8660	0.000	1	103.9207	1.398	3	105.2126	5.792	5	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){1|S<4>,2|H<1>,3|C<3>}	C[5](C[5,5]C[5,5]S[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|O<1>,4|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	109.1320	0.000	1	109.1320	0.000	1	105.2126	5.792	5	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|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]H)(H){1|C<4>,1|N<3>,1|O<1>,4|H<1>,5|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|H<1>,3|C<3>}	104.0810	0.000	1	104.0810	0.000	1	108.3333	14.686	3	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,1|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,5|C<3>}	109.3990	0.000	1	109.3990	0.000	1	108.3333	14.686	3	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CH)(H){1|H<1>,1|S<4>,4|C<3>}	C[5](C[5,5]C[5,6a]C[5]S[5])(C[6a]C[6a]2)(N[5]C[5]H)(H){1|N<3>,2|O<1>,4|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|S<4>,4|C<3>}	111.5200	0.000	1	111.5200	0.000	1	108.3333	14.686	3	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H)	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]H)(N[5]C[5]H)(COO)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]O[5]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,5|C<3>}	106.2910	0.000	1	106.2910	0.000	1	106.2910	0.000	1	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){1|H<1>,2|C<4>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<2>,3|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){2|C<4>,2|H<1>,3|C<3>}	104.1280	0.000	1	104.1280	0.000	1	103.9620	2.994	5	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){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]H)(H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H){1|O<2>,2|H<1>,4|C<3>}	103.0390	0.000	1	103.6885	0.844	2	103.9620	2.994	5	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){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]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	104.3380	0.000	1	103.6885	0.844	2	103.9620	2.994	5	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CH)(H){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]H)(H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]H)(COO)(H){1|O<2>,2|C<3>,4|H<1>}	104.1525	3.299	2	104.1525	10.881	2	103.9620	2.994	5	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H)	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5]CH)(H){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5]C[6]2)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,1|O<2>,5|C<3>,6|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|H<1>,4|C<3>}	110.9270	0.618	2	110.9270	0.382	2	110.9270	0.382	2	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(H)	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5]2Fe)(N[5]C[5]C)(N[5]C[5]H)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]N[5]H)(H){1|Fe<10>,1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]C[5]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|Fe<10>,2|C<3>,3|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>}	108.4990	0.000	1	108.4990	0.000	1	108.4990	0.000	1	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]N[5]CH)(H){3|C<3>,3|H<1>}	C[5](C[5]C[6a]N[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){5|C<3>,5|H<1>}	C[5](N[5]C[5]HH)(N[5]C[5]H)(COO)(H){2|C<3>,2|H<1>}	104.1100	0.000	1	104.1100	0.000	1	104.1100	0.000	1	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CNO)(H)	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(H){1|Mo<6>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]H)(CNO)(H){1|Mo<6>,1|C<4>,1|H<1>,3|C<3>}	C[5](N[5]C[5]MoC)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,3|H<1>,4|C<3>}	106.5260	0.000	1	106.5260	0.000	1	106.5260	0.000	1	106.6474	10.011	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H){1|C<4>,1|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]H)(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)2{1|H<1>,3|C<3>}	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	110.1734	3.862	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<1>,2|H<1>,2|O<2>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	112.1670	0.000	1	111.7860	0.290	2	111.0883	3.861	4	110.1734	3.862	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|S<1>,2|H<1>,2|O<2>,5|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{2|H<1>,4|C<3>}	111.4050	0.000	1	111.7860	0.290	2	111.0883	3.861	4	110.1734	3.862	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,4|H<1>,6|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	112.5520	0.000	1	110.3905	9.344	2	111.0883	3.861	4	110.1734	3.862	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]N)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|O<2>,5|C<3>,5|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(COO)2{1|C<4>,1|H<1>,1|N<3>,3|C<3>}	108.2290	0.000	1	110.3905	9.344	2	111.0883	3.861	4	110.1734	3.862	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){2|H<1>,4|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){4|H<1>,6|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(COO)2{1|H<1>,3|C<3>}	108.7845	1.899	2	108.7845	3.605	2	108.7845	3.605	2	110.1734	3.862	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CH)(H){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]H)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	107.0520	0.000	1	107.0520	0.000	1	107.0520	0.000	1	107.0520	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[5a]C[5a]2)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(COO)	N[5](C[5]C[5,5]C[5a]H)(C[5]C[5,5]CC)(H){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]H)(H){1|N<2>,1|O<1>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	106.1285	1.414	2	106.1285	1.998	2	106.1285	1.998	2	108.7219	5.418	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(COO)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H){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]H)(H){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CCHH)(COO){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	108.5107	1.878	3	108.5107	3.527	3	107.9102	3.794	4	108.7219	5.418	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H)	C[5](C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(CCH)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(H){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]H)(H){1|Cl<1>,1|C<4>,1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]H)(CH3)(CCH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	106.1090	0.000	1	106.1090	0.000	1	107.9102	3.794	4	108.7219	5.418	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H)	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(COO)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]CC)(H){1|H<1>,5|C<3>}	C[5](C[5,5]C[5]3)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,2|O<1>,3|H<1>,6|C<3>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(COO){1|H<1>,5|C<3>}	106.4370	0.000	1	106.4370	0.000	1	106.4370	0.000	1	108.7219	5.418	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(CH3)(COO)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){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]H)(H){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]H)(CH3)(COO){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	112.2730	0.000	1	112.2730	0.000	1	111.5530	1.037	2	108.7219	5.418	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(CH3)(COO)	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(H){2|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,1|O<1>,2|H<1>,2|O<2>,4|C<3>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]H)(CH3)(COO){2|H<1>,4|C<3>}	110.8330	0.000	1	110.8330	0.000	1	111.5530	1.037	2	108.7219	5.418	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(H){1|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]H)(H){1|C<4>,4|H<1>,5|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO){1|C<2>,1|H<1>,2|C<3>}	106.2900	0.000	1	106.2900	0.000	1	106.2900	0.000	1	108.7219	5.418	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){1|C<2>,1|H<1>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<2>,1|C<4>,4|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	110.3123	1.608	3	110.2194	1.744	5	110.2194	1.744	5	108.7219	5.418	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){1|C<3>,1|H<1>,2|C<2>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,2|C<2>,3|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]H)(CCHH)(COO){2|C<3>,2|H<1>}	110.0800	1.319	2	110.2194	1.744	5	110.2194	1.744	5	108.7219	5.418	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:3:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-3:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5]2S[5])(N[5]C[5]H)(COO)2	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H){1|H<1>,1|S<2>,2|C<3>}	C[5](C[5,5]C[5]2S[5])(N[5]C[5]H)(COO)2{1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]C[6a]H)(N[5]C[5]H)(CF3)(H){1|S<2>,5|C<3>}	110.4910	0.358	2	110.4910	0.128	2	110.4910	0.128	2	108.5037	8.581	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:3:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]H)(COO)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,5|C<3>}	108.7320	0.000	1	108.7320	0.000	1	106.5165	9.817	2	108.5037	8.581	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:3:3:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|H<1>,3|C<3>}	104.3010	0.000	1	104.3010	0.000	1	106.5165	9.817	2	108.5037	8.581	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	103.8995	0.699	2	103.8995	0.489	2	106.0526	6.071	5	106.0526	6.071	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H)	C[5](C[5]C[5]FF)(N[5]C[5]H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){2|F<1>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]2O)(H){2|F<1>,2|H<1>}	C[5](C[5]C[5]FF)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	107.0500	2.681	2	107.0500	7.190	2	106.0526	6.071	5	106.0526	6.071	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[6a]HO)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|C<4>,3|H<1>}	108.3640	0.000	1	108.3640	0.000	1	106.0526	6.071	5	106.0526	6.071	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:3:3:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H)	C[5](C[5]C[5]HN)(N[5]C[5]H)(COO)2	N[5](C[5]C[5]CC)(C[5]C[5]CH)(H){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CF3)(H){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5]C[5]HN)(N[5]C[5]H)(COO)2{1|C<3>,1|C<4>,2|H<1>}	106.5170	0.000	1	106.5170	0.000	1	106.5170	0.000	1	106.5170	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H)	N[5](C[5]C[5]CH)2(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CCHH)(H){1|C<4>,3|H<1>}	106.2880	0.000	1	106.2880	0.000	1	106.4395	0.605	4	106.4395	0.605	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H)	N[5](C[5]C[5]CH)2(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CC[5a]CC)(H){1|C<4>,3|H<1>}	105.9505	0.196	2	105.9505	0.038	2	106.4395	0.605	4	106.4395	0.605	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H)	N[5](C[5]C[5]CH)2(H){2|H<1>,2|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]H)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	107.5690	0.000	1	107.5690	0.000	1	106.4395	0.605	4	106.4395	0.605	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:1:	4:3:4:4:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:P-4:	N[5](C[5]C[5]CH)(C[5]C[5]CP)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(PO3)	N[5](C[5]C[5]CH)(C[5]C[5]CP)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(H){1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(PO3){1|C<4>,3|H<1>}	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	107.9030	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:3:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO)	C[5](C[5]C[5]CS)(N[5]C[5]H)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(CH3)(COO){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]CS)(N[5]C[5]H)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.2650	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:3:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CCHH)(COO)	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5,5]CC)(C[5]C[5]CH)(H){1|H<1>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]H)(CCHH)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]H)(COO)(H){1|C<4>,3|C<3>}	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	110.3620	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:3:	4:4:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[4]-4:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO)	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[5a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H){1|C<4>,2|H<1>,5|C<3>}	106.1290	0.000	1	106.1290	0.000	1	105.6360	0.486	2	105.6360	0.486	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:3:	4:4:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	C[4]-4:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HH)(COO)	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H)	N[5](C[5]C[4]C[5]H)(C[5]C[5]CC)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(CC[6a]HH)(COO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[4]C[4]N[4]H)(C[5]C[5]HN)(N[5]C[5]H)(H){1|C<4>,2|H<1>,5|C<3>}	105.1430	0.000	1	105.1430	0.000	1	105.6360	0.486	2	105.6360	0.486	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:3:4:4:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:N[5]-3:C-4:C-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H)	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHN)(CH3)	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(H){1|Cu<5>,1|C<4>,2|C<3>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]H)(CHHN)(CH3){1|Cu<5>,1|C<3>,1|C<4>,1|H<1>}	C[5](N[5]C[5]CuC)(C[6a]C[6a]2)(N[5]C[5]H)(H){2|C<3>,2|C<4>,4|H<1>}	107.7050	0.280	2	107.7050	0.078	2	107.7050	0.078	2	107.7050	0.078	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:Si-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H)	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2	N[5](C[5]C[5]SiH)(C[5]C[5]HH)(H){4|H<1>}	C[5](C[5]C[5]HH)(SiC[6a]2C)(N[5]C[5]H)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]H)(H)2{1|Si<4>,3|H<1>}	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.7150	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:1:	4:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]CH)(H)	C[5](C[5]C[5]2Fe)(C[5]C[5]HN)(N[5]C[5]H)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H)	N[5](C[5]C[5]2H)(C[5]C[5]CH)(H){1|Fe<10>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5](C[5]C[5]2Fe)(C[5]C[5]HN)(N[5]C[5]H)(H){1|P<3>,2|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]H)(COO)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	103.0060	0.000	1	103.0060	0.000	1	103.0060	0.000	1	103.0060	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:3:3:1:	4:3:4:4:	C[5]-4:C[5]-4:O-2:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OSi)	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2(H)	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OSi){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	C[5](C[5a]C[5a]S[5a])(N[5]C[5]O)2(H){1|H<1>,2|C<3>,4|C<4>}	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,1|O<2>}	106.5575	1.778	2	106.5575	3.163	2	106.5575	3.163	2	106.5575	3.163	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:3:3:2:	4:3:4:4:	C[5]-4:C[5]-4:O-2:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OCo)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OCo){2|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Co<6>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2{2|C<3>}	112.6407	0.424	4	112.6407	0.180	4	111.9850	1.148	8	111.9850	1.148	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:3:3:2:	4:3:4:4:	C[5]-4:C[5]-4:O-2:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OFe)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(OFe){2|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Fe<6>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2{2|C<3>}	110.9800	1.139	3	110.9800	1.297	3	111.9850	1.148	8	111.9850	1.148	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:3:3:2:	4:3:4:4:	C[5]-4:C[5]-4:O-2:	C[6]-3:C[6]-3:N[5]-3:O[5]-2:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(ONi)	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5])	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2	N[5](C[5]C[6]2O[5])(C[5]C[5]CC)(ONi){2|C<3>,2|H<1>,2|N<3>}	C[5](C[6]C[6]N[6])2(N[5]C[5]O)(O[5]C[5]){1|Ni<6>,2|C<4>,4|C<3>,4|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]O)(CH3)2{2|C<3>}	112.3770	0.000	1	112.3770	0.000	1	111.9850	1.148	8	111.9850	1.148	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:3:3:4:	3:3:4:4:	C[5]-4:C[5]-4:O-2:	C[6a]-3:C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(OH)	C[5](C[6a]C[6a]2)(C[5]N[5]O)(N[5]C[5]O)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(OH){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]O)(CH3){2|C<3>,2|H<1>,3|C<4>}	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|C<3>,1|C<4>,1|O<1>}	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	110.3600	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:3:4:4:	3:3:1:1:	C[5]-4:C[5]-4:O-2:	N[5]-3:N[5]-3:C-4:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]N[5]CC)(OC)	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3)	C[5](C[5]N[5]O)(N[5]C[5]O)(H)2	N[5](C[5]C[5]HH)(C[5]N[5]CC)(OC){1|C<4>,1|O<1>}	C[5](N[5]C[5]C)(N[5]C[5]O)(CCCH)(CH3){1|O<1>,2|H<1>}	C[5](C[5]N[5]O)(N[5]C[5]O)(H)2{3|C<4>}	103.6080	0.000	1	103.6080	0.000	1	103.6080	0.000	1	103.6080	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:O-2:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5,6a]CC)2(OC)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,6a]CC)2(OC){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	111.6140	0.000	1	111.6140	0.000	1	110.5485	2.271	2	110.5485	2.271	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:O-2:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5,6a]CC)2(OC[6])	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2	N[5](C[5]C[5,6a]CC)2(OC[6]){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]O)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	109.4830	0.000	1	109.4830	0.000	1	110.5485	2.271	2	110.5485	2.271	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	3:4:3:1:	4:4:3:1:	C[5]-4:C[5]-4:O-2:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(OC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]2H)(OC){1|O<2>,3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]O)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]O)(H){3|C<3>,4|H<1>}	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	106.8730	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:N-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6])	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6,6]){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	105.1510	0.000	1	105.1510	0.000	1	106.0237	6.891	3	106.0237	6.891	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:N-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6])	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC[6]){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	106.4600	3.555	2	106.4600	12.640	2	106.0237	6.891	3	106.0237	6.891	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:1:1:	4:3:4:4:	C[5]-4:C[5]-4:O-2:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:P-4:	N[5](C[5]C[5]CP)(C[5]C[5]HH)(OH)	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3)	N[5](C[5]C[5]CP)(C[5]C[5]HH)(OH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(H)2{1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)(PO3){4|H<1>}	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	107.0080	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:N-2:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	112.9720	0.000	1	112.9720	0.000	1	112.9720	0.000	1	106.8458	9.216	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-2:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CCHS)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	105.9940	0.000	1	105.9940	0.000	1	105.6206	0.261	5	106.8458	9.216	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:O-2:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(CHHS)(H){1|C<4>,1|O<2>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]O)(H)2{1|O<2>,2|C<4>,2|H<1>}	105.5272	0.539	4	105.5272	0.290	4	105.6206	0.261	5	106.8458	9.216	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:4:4:	3:3:3:1:	C[5]-4:C[5]-4:O-2:	C[5]-4:N[5]-3:C-4:C-4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OH)	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)2(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OH){1|N<2>,1|O<2>,1|S<2>,2|C<4>}	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[5a]N[5a]S[5a])(N[5]C[5]O)2(H){2|C<3>,4|C<4>}	105.9640	0.840	2	105.9640	0.706	2	105.9640	0.706	2	105.2627	1.428	10	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:4:4:	3:3:3:1:	C[5]-4:C[5]-4:O-2:	C[5]-4:N[5]-3:C-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(OSi)	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2	C[5](C[6a]C[6a]2)(N[5]C[5]O)2(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(OSi){1|O<2>,2|C<3>,2|C<4>}	C[5](C[5]N[5]CC)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,1|O<2>}	C[5](C[6a]C[6a]2)(N[5]C[5]O)2(H){2|C<3>,2|H<1>,4|C<4>}	105.0874	1.249	8	105.0874	1.559	8	105.0874	1.559	8	105.2627	1.428	10	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:2:	4:3:4:4:	4:3:4:4:	C[5]-4:C[5]-4:O-2:	C[5]-4:N[5]-3:C-4:C-4:	C[5]-4:N[5]-3:C-4:C-4:	N[5](C[5]C[5]CC)2(OC)	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2	N[5](C[5]C[5]CC)2(OC){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]O)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CH)(N[5]C[5]O)(CH3)2{2|C<4>,2|H<1>}	111.0980	0.000	1	111.0980	0.000	1	111.0980	0.000	1	111.0980	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:1:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O)	C[5](N[5]C[5]C)(O[5]C[5])(H)2	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(CC[6a]O){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CCCH)(H){2|H<1>}	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	109.9450	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CCHH)(H){1|C<4>,1|H<1>}	111.2500	0.000	2	111.2500	0.000	2	111.0833	0.083	3	111.0833	0.083	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O){1|O<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	C[5](C[5]O[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	110.7500	0.000	1	110.7500	0.000	1	111.0833	0.083	3	111.0833	0.083	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:2:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5a]O)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	C[5](C[5]O[5]CH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[5a]O){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]C)(COO)(H){1|C<4>,1|H<1>}	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.2370	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[5,6a]HH)2(C[6a]C[6a]2){1|H<1>,1|N<3>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	109.7220	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	3:3:2:1:	C[5]-4:C[5]-4:N-3:	C[5,6a]-3:N[5]-3:O-2:H-1:	C[5,6a]-3:N[5]-3:O-2:H-1:	N[5](C[5]C[5,6a]HO)2(NC[6a]H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H)	N[5](C[5]C[5,6a]HO)2(NC[6a]H){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]N)(OC)(H){1|O<2>,2|C<3>,2|H<1>}	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	110.4070	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:N[5]-3:S[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(N[5]C[5]C)(S[5]C[5])(H)	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]S[5]H)(C[5]C[5]CH)(COO){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<2>,3|C<3>,4|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,1|H<1>}	115.1510	0.000	1	115.1510	0.000	1	115.1510	0.000	1	115.1510	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2	N[5](C[5]N[3,5]C[6a]H)(C[5]C[3,5]HH)(C[6a]C[6a]2){1|C<4>,3|H<1>,4|C<3>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|C<3>,6|H<1>}	C[5](C[3,5]N[3,5]C[3]H)(N[5]C[6a]C[5])(H)2{2|H<1>,4|C<3>}	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	109.1940	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6a]-3:	N[3,5]-3:N[5]-3:C[6a]-3:H-1:	C[3,5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2)	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H)	N[5](C[5]C[3,5]C[6a]H)(C[5]N[3,5]C[6a]H)(C[6a]C[6a]2){1|C<4>,1|H<1>,1|O<2>,7|C<3>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){1|O<2>,4|H<1>,6|C<3>}	C[5](C[3,5]N[3,5]C[6a]C[3])(N[5]C[6a]C[5])(C[6a]C[6a]2)(H){5|H<1>,7|C<3>}	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	105.6110	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:3:1:	C[5]-4:C[5]-4:C[6a]-3:	C[5a]-3:N[5]-3:C[5]-4:H-1:	C[5a]-3:N[5]-3:N[5]-3:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H)	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H)	N[5](C[5]C[5a]C[5]H)(C[5]C[5a]N[5]H)(C[6a]C[6a]2){2|S<2>,4|H<1>,5|C<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(C[5]N[5]CH)(H){3|H<1>,5|C<3>}	C[5](C[5a]C[5a]S[5a])(N[5]C[6a]C[5])(N[5]C[5]H)(H){3|H<1>,6|C<3>}	109.9330	0.000	1	109.9330	0.000	1	109.9330	0.000	1	110.3685	0.379	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:3:1:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(C[6a]C[6a]2){1|S<4>,4|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]N[5]HH)(H){1|S<4>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){5|C<3>,5|H<1>}	110.8040	0.000	1	110.8040	0.000	1	110.8040	0.000	1	110.3685	0.379	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-3:N[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]N[5]CH)(COO)	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H)	C[5](N[5]C[5]C)2(CC3)(H)	N[5](C[5]C[5]CH)(C[5]N[5]CH)(COO){1|C<4>,1|O<1>}	C[5](C[5]N[5]O)(N[5]C[5]C)(CC[6a]HH)(H){1|H<1>,2|C<4>}	C[5](N[5]C[5]C)2(CC3)(H){1|C<4>,1|H<1>,1|O<1>}	112.6190	0.000	1	112.6190	0.000	1	112.6190	0.000	1	109.5639	10.208	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:C[6a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H)	N[5](C[5]C[6a]C[5]H)2(C[6a]C[6a]2){1|O<2>,2|C<2>,3|H<1>,6|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,1|O<2>,3|H<1>,5|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(C[5]C[5]CH)(H){1|C<2>,4|H<1>,5|C<3>}	103.4790	0.000	1	103.4790	0.000	1	103.4790	0.000	1	109.5639	10.208	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)2(N[5]C[5]2){1|Rh<6>,1|N<2>,1|N<3>,4|C<3>,5|H<1>}	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](N[5]C[5]N[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	108.2515	0.142	2	108.2515	0.020	2	108.2515	0.020	2	109.5639	10.208	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:N[5a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2)	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2){1|N<3>,5|C<3>,6|H<1>}	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	113.8750	0.000	1	111.6470	4.129	3	111.6470	4.129	3	109.5639	10.208	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:N[5a]-3:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5]-3:C[6a]-3:C[5]-4:H-1:	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2)	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H)	N[5](C[5]C[6a]C[5]H)2(N[5a]C[5a]2){2|N<2>,4|C<3>,6|H<1>}	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	C[5](N[5]N[5a]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(H){5|C<3>,5|H<1>}	110.5330	0.901	2	111.6470	4.129	3	111.6470	4.129	3	109.5639	10.208	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:S-3:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6a]CH)2(SCO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6a]CH)2(SCO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCFF)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,2|H<1>}	108.9690	0.000	1	108.9690	0.000	1	108.9690	0.000	1	109.5639	10.208	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]O){1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	107.5534	1.042	5	107.5534	1.087	5	107.5534	1.087	5	107.4885	0.895	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SCO)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(H)	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]N[5]HH)(SCO){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]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	107.1640	0.000	1	107.1640	0.000	1	107.1640	0.000	1	107.4885	0.895	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:N-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(NCH)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	N[5](C[5]C[6a]C[5]H)2(NCH){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	105.1500	0.000	1	105.1500	0.000	1	110.2540	19.674	3	110.2540	19.674	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:N-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(NPdC)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H)	N[5](C[5]C[6a]C[5]H)2(NPdC){4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]N)(H){3|C<3>,5|H<1>}	112.8060	0.520	2	112.8060	0.271	2	110.2540	19.674	3	110.2540	19.674	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(CC[6a]O){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|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.8020	0.000	1	111.8020	0.000	1	111.8020	0.000	1	110.0978	1.306	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SCO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	109.5297	0.150	3	109.5297	0.023	3	109.5297	0.023	3	110.0978	1.306	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]C)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|C<4>,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|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(COO)(H){2|C<3>,2|H<1>}	112.3185	0.049	2	112.3185	0.002	2	112.5517	0.779	4	112.5517	0.779	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(COO)(H){3|C<3>,3|H<1>}	111.7560	0.000	1	111.7560	0.000	1	112.5517	0.779	4	112.5517	0.779	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(COO){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(CNO)(H){3|C<3>,3|H<1>}	113.8140	0.000	1	113.8140	0.000	1	112.5517	0.779	4	112.5517	0.779	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:3:4:	3:3:1:1:	C[5]-4:C[5]-4:S-3:	C[6a]-3:C[5]-4:N[5]-3:C-4:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(SCO)	C[5](C[6a]C[6a]2)(C[5]N[5]HH)(N[5]C[5]S)(CH3)	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]N[5]HH)(SCO){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]S)(CH3){1|C<4>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.7345	0.752	2	108.7345	0.565	2	108.7345	0.565	2	108.7345	0.565	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(N[5]C[5]2){1|Rh<6>,1|C<3>,1|C<4>,1|N<3>,5|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CHHO)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,3|H<1>}	108.8685	0.370	2	108.8685	0.137	2	108.8685	0.137	2	108.8685	0.137	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[5]C[5]CH)2(N[5]C[5]2){1|C<4>,1|N<3>,7|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	107.4475	0.370	2	108.4340	1.174	6	108.4340	1.174	6	108.4340	1.174	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5]-4:C[5]-4:N[5]-3:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:C-4:H-1:	N[5](C[5]C[5]CH)2(N[5]C[5]2)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H)	N[5](C[5]C[5]CH)2(N[5]C[5]2){1|Rh<6>,1|C<4>,1|N<3>,6|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](N[5]C[5]N[5])(C[5]C[5]HH)(CH3)(H){1|C<3>,2|C<4>,3|H<1>}	108.9273	0.969	4	108.4340	1.174	6	108.4340	1.174	6	108.4340	1.174	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C[6a]-3:	C[3,5]-4:N[5]-3:H-1:H-1:	N[3,5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2)	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2	N[5](C[5]C[3,5]HH)(C[5]N[3,5]HH)(C[6a]C[6a]2){1|C<4>,2|H<1>,3|C<3>}	C[5](C[3,5]N[3,5]C[3]C)(N[5]C[6a]C[5])(H)2{3|C<3>,3|H<1>}	C[5](N[3,5]C[3,5]C[3])(N[5]C[6a]C[5])(H)2{3|H<1>,4|C<3>}	110.1150	0.000	1	110.1150	0.000	1	110.1150	0.000	1	110.1150	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CNN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CNN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	110.4040	0.000	1	110.4040	0.000	1	109.7623	0.313	3	106.9608	9.556	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	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(CN[5]Rh)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CN[5]Rh){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	109.4415	0.093	2	109.4415	0.009	2	109.7623	0.313	3	106.9608	9.556	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:N-3:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(NCH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2	N[5](C[5]C[5,5]HH)2(NCH){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2{2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]N)(H)2{2|C<4>,5|H<1>}	104.1593	0.175	3	104.1593	0.031	3	104.1593	0.031	3	106.9608	9.556	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	111.8110	0.697	4	111.8110	0.485	4	111.8110	0.485	4	111.8110	0.485	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO)	C[5](C[5]C[6a]2C[5])(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CAuHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CNO){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[5](C[5]C[5]HH)(N[5]C[5]C)(CAuHH)(H){2|C<3>,2|H<1>}	110.1020	0.000	1	110.1020	0.000	1	109.8480	1.414	5	109.7779	1.023	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	110.9265	0.187	2	110.9265	0.035	2	109.8480	1.414	5	109.7779	1.023	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CN[5]Rh){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	108.6425	0.568	2	108.6425	0.322	2	109.8480	1.414	5	109.7779	1.023	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:N-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NCC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	108.6880	0.000	1	108.6880	0.000	1	109.6610	0.721	3	109.7779	1.023	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:N-3:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NPdC)	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(NPdC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHO)(H){4|H<1>}	110.1475	0.149	2	110.1475	0.022	2	109.6610	0.721	3	109.7779	1.023	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[6]-3:N[5]-4:N[5]-3:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(CCO)	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H)	C[5](C[6]C[6]N[6])(N[5]C[5]FeC)(N[5]C[5]C)(H)	N[5](C[5]C[5]C[6]H)(C[5]C[6]N[5]H)(CCO){1|Fe<6>,1|C<4>,1|H<1>,2|N<3>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(C[6]C[6]N[6])(N[5]C[5]C)(H){1|Fe<6>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5](C[6]C[6]N[6])(N[5]C[5]FeC)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	111.8670	0.000	1	111.8670	0.000	1	111.8670	0.000	1	111.8670	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6a]O){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	111.4450	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:2:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:N-2:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HN)(CNO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HN)(CNO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|N<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(NN)(H){1|C<3>,3|H<1>}	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(CC[6a]O){1|Cl<1>,1|C<2>,2|C<3>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|Cl<1>,1|C<2>,1|C<3>,1|H<1>}	C[5](C[5]C[5]ClC)(C[6a]C[6a]2)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	112.4000	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:P-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HP)(COO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,1|P<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]C)(PO3)(H){1|C<3>,3|H<1>}	112.5350	0.000	1	112.5350	0.000	1	112.5350	0.000	1	110.5261	2.823	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:N-3:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NCH)	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(NCH){1|C<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]C)(C[6a]C[6a]2)(N[5]C[5]N)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CHHI)(H){1|C<2>,1|H<1>,2|C<3>}	110.2750	1.605	8	110.2750	2.577	8	110.2750	2.577	8	110.5261	2.823	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	3:2:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O)	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H)	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(CC[6a]O){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]C)(O[5]C[5])(CC3)(H){1|C<4>,3|H<1>}	109.5995	0.013	2	109.5995	0.000	2	109.5995	0.000	2	109.5995	0.000	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(CC[6]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]2O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	112.4750	0.000	1	112.4750	0.000	1	112.7050	0.106	2	110.7237	5.280	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CO)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	112.9350	0.000	1	112.9350	0.000	1	112.7050	0.106	2	110.7237	5.280	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)(C[5]C[5]HS)(CC[6a]O){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]C)(H)2{1|S<4>,3|H<1>}	108.7425	0.183	2	108.7425	0.034	2	108.7425	0.034	2	110.7237	5.280	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)2(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CCCH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	111.9570	0.000	1	111.9570	0.000	1	111.9570	0.000	1	112.1065	0.045	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:S-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HS)(COO)	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HS)(COO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(SC[6a]OO)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|S<4>,3|H<1>}	112.2560	0.000	1	112.2560	0.000	1	112.2560	0.000	1	112.1065	0.045	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(CC[6a]O)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H)	N[5](C[5]C[5]CH)2(CC[6a]O){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(CC[5a]CC)(H){1|C<4>,3|H<1>}	112.0395	0.162	2	112.0395	0.026	2	112.0395	0.026	2	112.7813	1.664	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:N-3:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(NPdC)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H)	N[5](C[5]C[5]CH)2(NPdC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]N)(CCCH)(H){1|C<4>,3|H<1>}	114.2650	0.000	1	114.2650	0.000	1	114.2650	0.000	1	112.7813	1.664	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	3:2:1:1:	C[5]-4:C[5]-4:C-3:	C[5]-4:C[5]-4:N[5]-3:H-1:	N[5]-3:S[5]-2:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO)	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H)	C[5](N[5]C[5]C)(S[5]C[5])(H)2	N[5](C[5]C[5]2H)(C[5]S[5]HH)(COO){1|C<4>,1|N<3>,3|H<1>}	C[5](C[5]C[5]N[5]H)(C[5]S[5]HH)(N[5]C[5]C)(H){1|O<2>,2|C<3>,4|H<1>}	C[5](N[5]C[5]C)(S[5]C[5])(H)2{1|C<4>,3|H<1>}	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	111.2450	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-3:	C[5,6]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO)	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5,6]C[5]H)(C[5]C[5]HH)(COO){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]O[5])(C[5]C[5]HH)(N[5]C[5]C)(H){1|C<4>,3|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	112.6740	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:2:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	N[5]-3:O[5]-2:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]HH)(SC[6a]OO)	C[5](N[5]C[5]S)(O[5]C[5])(H)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]HH)(SC[6a]OO){1|C<4>,1|H<1>}	C[5](N[5]C[5]S)(O[5]C[5])(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(COO)(H){2|H<1>}	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	106.8110	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:2:4:1:	4:3:4:3:	C[5]-4:C[5]-4:S-4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SC[6a]OO)	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(CHO)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	C[5](N[5]C[5]S)(O[5]C[5])(CC3)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(CHO){1|C<4>,1|H<1>}	110.9215	0.086	2	110.9215	0.007	2	110.9215	0.007	2	109.6313	4.997	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:2:4:1:	4:3:4:3:	C[5]-4:C[5]-4:Si-4:	N[5]-3:O[5]-2:C-4:H-1:	C[5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SiCOO)	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H)	C[5](C[5]O[5]HH)(N[5]C[5]Si)(CH3)(COO)	N[5](C[5]C[5]CC)(C[5]O[5]CH)(SiCOO){2|H<1>}	C[5](N[5]C[5]Si)(O[5]C[5])(CCCH)(H){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]Si)(CH3)(COO){1|C<4>,1|H<1>}	107.0510	0.000	1	107.0510	0.000	1	107.0510	0.000	1	109.6313	4.997	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:2:4:4:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3: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[5](C[5]O[5]CH)(N[5]C[5]C)(H)2	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[5](C[5]O[5]CH)(N[5]C[5]C)(H)2{2|C<4>}	105.0847	0.423	3	105.0847	0.179	3	105.0847	0.179	3	105.0847	0.179	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:2:4:4:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){2|H<1>}	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCH)(H){2|C<4>}	110.9850	0.000	1	110.9850	0.000	1	109.7407	1.161	3	109.7407	1.161	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:2:4:4:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHN)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){2|H<1>}	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<3>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CHN)(H){2|C<4>}	109.1185	0.021	2	109.1185	0.000	2	109.7407	1.161	3	109.7407	1.161	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:2:4:4:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){1|C<4>,1|H<1>}	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{2|C<4>,2|H<1>}	C[5](C[5]O[5]CH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	108.8430	0.000	1	108.8430	0.000	1	109.4717	0.461	3	109.4717	0.461	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:2:4:4:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	N[5]-3:O[5]-2:C-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO)	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CC)(SC[6a]OO){2|H<1>}	C[5](N[5]C[5]S)(O[5]C[5])(CH3)2{1|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCHO)(H){2|C<4>}	109.7860	0.574	2	109.7860	0.330	2	109.4717	0.461	3	109.4717	0.461	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-3:N[5]-3:H-1: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[5](C[5,5]C[5,5]S[5])(N[5]C[5]C)(H)2	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[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>}	108.4765	0.466	2	108.4765	0.217	2	108.4765	0.217	2	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[5,5a]-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[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C)(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[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>}	109.3370	0.000	1	109.3370	0.000	1	109.3370	0.000	1	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[5,6a]-3:N[5]-3:H-1: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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2	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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(H)2{2|C<3>,3|H<1>}	105.6750	0.016	2	105.6750	0.000	2	106.7760	1.107	5	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[5,6a]-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[5](C[5,6a]C[5,6a]N[6a])(N[5]C[5]C)(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[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>}	107.5100	0.441	3	107.5100	0.194	3	106.7760	1.107	5	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[5]-3:N[5]-3:H-1: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[5](C[5]C[5]C)(N[5]C[5]C)(H)2	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[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	106.6025	0.469	2	106.6025	0.220	2	106.6025	0.220	2	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[5,5a]-3:N[5]-3:H-1:H-1:	C[5,5a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H)	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,5a]HH)2(C[6]C[6]2H){1|C<3>,1|N<2>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,5a]C[5,5a]C[5a])(N[5]C[5]C[6])(H)2{1|N<2>,1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,5a]C[5,5a]N[5a])(N[5]C[5]C[6])(H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	108.3580	0.000	1	108.3580	0.000	1	108.3580	0.000	1	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6,6]-3:N[5]-3:H-1:H-1:	C[5,6,6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6,6]HH)2(SC[6a]OO)	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6,6]HH)2(SC[6a]OO){2|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2{1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6,6]C[5,6,6]C[3x6])(N[5]C[5]S)(H)2{1|N<3>,2|H<1>,3|C<4>}	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,2|H<1>}	111.7650	0.000	1	111.7650	0.000	1	111.7650	0.000	1	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]2)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	112.7835	0.255	2	112.7835	0.065	2	111.7535	1.372	20	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	112.6490	0.000	1	111.6391	1.391	18	111.7535	1.372	20	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	112.0930	0.498	3	111.6391	1.391	18	111.7535	1.372	20	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	111.4430	0.000	1	111.6391	1.391	18	111.7535	1.372	20	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Cl<1>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|C<2>,2|C<3>,2|H<1>}	112.5380	0.000	1	111.6391	1.391	18	111.7535	1.372	20	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	111.1615	1.825	4	111.6391	1.391	18	111.7535	1.372	20	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]HH)2(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6a]HH)2(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	111.4935	1.170	8	111.6391	1.391	18	111.7535	1.372	20	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	110.6780	0.000	1	110.6780	0.000	1	111.1650	0.521	10	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	111.6255	0.626	2	111.5188	0.531	5	111.1650	0.521	10	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	111.4477	0.921	3	111.5188	0.531	5	111.1650	0.521	10	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]C[6])(N[5]C[5]S)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<4>,1|H<1>}	C[5](C[5]C[5]C[6])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	110.0310	0.000	1	110.0310	0.000	1	111.1650	0.521	10	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<2>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<2>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{3|H<1>}	110.6870	0.000	1	110.8785	0.073	2	111.1650	0.521	10	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{3|H<1>}	111.0700	0.000	1	110.8785	0.073	2	111.1650	0.521	10	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{3|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{3|H<1>}	111.5900	0.000	1	111.5900	0.000	1	111.1650	0.521	10	110.5303	4.553	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(CCN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CCN)(H){3|H<1>}	111.7970	0.000	1	111.7970	0.000	1	111.7185	0.012	2	111.7185	0.012	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]H)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CCH)(H){3|H<1>}	111.6400	0.000	1	111.6400	0.000	1	111.7185	0.012	2	111.7185	0.012	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:4:2:	C[5]-4:C[5]-4:C-4:	C[5,6a]-3:N[5]-3:H-1:H-1:	C[5,6a]-3:N[5]-3:C-4:O-2:	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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH)	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[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]C)(CF3)(OH){2|C<3>,3|H<1>}	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	109.3160	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:4:4:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	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[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2	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[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	101.8570	0.000	1	101.8570	0.000	1	102.0440	0.070	2	102.0440	0.070	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	3:3:4:4:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:C-4:	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[5](C[5]N[5]O)(N[5]C[5]C)(CH3)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[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,2|H<1>}	102.2310	0.000	1	102.2310	0.000	1	102.0440	0.070	2	102.0440	0.070	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6,6])(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6,6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	109.2800	0.000	1	109.2800	0.000	1	109.7229	2.565	8	109.3979	3.195	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	108.4423	0.476	3	109.7861	2.955	7	109.7229	2.565	8	109.3979	3.195	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	111.8935	1.298	2	109.7861	2.955	7	109.7229	2.565	8	109.3979	3.195	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	110.4930	0.000	1	109.7861	2.955	7	109.7229	2.565	8	109.3979	3.195	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-3:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	108.8960	0.000	1	109.7861	2.955	7	109.7229	2.565	8	109.3979	3.195	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3: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(SC[6a]OO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<4>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2{2|H<1>,3|C<3>}	106.7980	0.000	1	106.7980	0.000	1	106.7980	0.000	1	109.3979	3.195	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-3:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCH)(H){2|C<3>,4|H<1>}	111.0340	0.000	1	111.0340	0.000	1	111.0340	0.000	1	110.8795	0.048	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|C<3>,2|H<1>}	110.7250	0.000	1	110.7250	0.000	1	110.7250	0.000	1	110.8795	0.048	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,2|C<3>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	108.7160	0.000	1	108.7160	0.000	1	107.6995	2.067	2	107.6995	2.067	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	106.6830	0.000	1	106.6830	0.000	1	107.6995	2.067	2	107.6995	2.067	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	3:3:3:4:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-3:N[5]-3: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[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH)	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[5](C[6a]C[6a]2)(C[5]O[5]O)(N[5]C[5]C)(CCHH){3|C<3>,3|H<1>}	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	107.4210	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-3: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[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	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[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	104.4250	0.888	3	104.4250	0.788	3	105.0468	2.209	5	105.0468	2.209	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-3: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[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	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[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	107.4560	0.000	1	107.4560	0.000	1	105.0468	2.209	5	105.0468	2.209	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[6a]-3:C[5]-4:N[5]-3: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[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H)	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[5](C[6a]C[6a]2)(C[5]O[5]CC)(N[5]C[5]C)(H){3|C<3>,3|H<1>}	104.5030	0.000	1	104.5030	0.000	1	105.0468	2.209	5	105.0468	2.209	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5a]O[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[5a]C[5a,6a]C[5a])(N[5]C[5]S)(O[5]C[5])(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	105.0490	0.000	1	105.0490	0.000	1	105.0490	0.000	1	105.0490	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]C)(H)	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CH)(SC[6a]OO){2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|C<3>,5|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CC[6a]C)(H){1|C<3>,1|H<1>}	107.5510	0.000	1	107.5510	0.000	1	107.5510	0.000	1	107.5510	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:3:3:	C[5]-4:C[5]-4:S-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SCOO)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SCOO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2{1|H<1>,3|C<3>}	109.1400	0.000	1	109.1400	0.000	1	110.1413	0.753	3	110.1413	0.753	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:3:3:	C[5]-4:C[5]-4:S-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SC[6a]OO)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2	N[5](C[5]C[6a]O[5]H)(C[5]C[5]CC)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(O[5]C[5])(H){3|H<1>,5|C<3>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(COO)2{1|H<1>,3|C<3>}	110.6420	0.052	2	110.6420	0.003	2	110.1413	0.753	3	110.1413	0.753	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	103.4680	0.819	2	103.4680	0.670	2	103.2604	0.424	7	103.2293	1.655	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	103.3817	0.554	4	103.3817	0.307	4	103.2604	0.424	7	103.2293	1.655	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	102.3600	0.000	1	102.3600	0.000	1	103.2604	0.424	7	103.2293	1.655	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	106.0850	0.151	2	106.0850	0.023	2	103.2126	2.407	13	103.2293	1.655	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	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[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	103.3335	0.344	2	103.3335	0.119	2	103.2126	2.407	13	103.2293	1.655	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	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[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|H<1>}	101.7190	0.000	1	101.7190	0.000	1	103.2126	2.407	13	103.2293	1.655	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	102.9570	0.000	1	102.6510	1.066	8	103.2126	2.407	13	103.2293	1.655	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	102.4343	0.421	3	102.6510	1.066	8	103.2126	2.407	13	103.2293	1.655	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H)	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[5](C[5]C[6a]O[5]H)(N[5]C[5]C)(CH3)(H){1|H<1>,3|C<3>}	102.7370	1.510	4	102.6510	1.066	8	103.2126	2.407	13	103.2293	1.655	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:2:4:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:O[5]-2:C-4:	C[5]-4:N[5]-3:C-4: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[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	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[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<3>,1|C<4>}	108.1640	0.000	1	108.1640	0.000	1	108.1640	0.000	1	108.1640	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[5]-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[5](C[5]C[5]C)(N[5]C[5]C)(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[5](C[5]C[5]C)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	108.2740	0.000	1	108.2740	0.000	1	108.2740	0.000	1	109.6604	8.940	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:	N[5]-3:N[5]-3: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[5](N[5]C[6a]C[5])(N[5]C[5]C)(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[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|H<1>,1|O<1>,3|C<3>}	102.2250	0.000	1	102.2250	0.000	1	102.2250	0.000	1	109.6604	8.940	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[5,6]-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[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(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[5](C[5,6]N[5,6]C[6])(N[5]C[5]C)(H)2{2|H<1>,3|C<3>}	107.1460	0.000	1	107.1460	0.000	1	107.1460	0.000	1	109.6604	8.940	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:P-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(PC[6a]2O)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]P)(H)	C[5](C[5]C[5]H)(N[5]C[5]P)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(PC[6a]2O){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]P)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]P)(H)2{1|H<1>,2|C<3>}	109.7290	0.000	1	109.7290	0.000	1	109.7290	0.000	1	109.6604	8.940	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:C-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	C[5](C[5]C[5]H)(N[5]C[5]S)(COO)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){1|C<4>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(COO)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	109.9940	0.000	1	109.9940	0.000	1	109.9940	0.000	1	109.6604	8.940	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	110.8490	0.000	1	110.8490	0.000	1	111.4827	1.166	6	109.6604	8.940	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	110.3140	0.000	1	111.7725	4.254	2	111.4827	1.166	6	109.6604	8.940	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){2|C<3>,5|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	113.2310	0.000	1	111.7725	4.254	2	111.4827	1.166	6	109.6604	8.940	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[5](C[5]C[5]S)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|S<4>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){1|S<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]S)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	111.5485	0.995	2	111.5485	0.990	2	111.4827	1.166	6	109.6604	8.940	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)(H)	C[5](C[5]C[5]Br)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,1|I<1>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]I)(N[5]C[5]S)(H){1|Br<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5]Br)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,1|I<1>}	111.4050	0.000	1	111.4050	0.000	1	111.4827	1.166	6	109.6604	8.940	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:2:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:N[5]-3:N[5]-2:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(SCOO)	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[6a]N[5]H)(SCOO){5|C<3>}	C[5](C[5]C[6a]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]S)(N[5]C[5])(H){3|H<1>,4|C<3>}	107.4340	0.000	1	107.4340	0.000	1	107.4340	0.000	1	107.4340	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	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:N[5]-3: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[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	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[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>}	109.4060	0.000	1	109.4060	0.000	1	109.4060	0.000	1	110.3148	5.660	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[5]-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]C)(H)	C[5](C[5]N[5]O)(N[5]C[5]2)(COO)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]2H)(C[5]C[5]CH){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	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[5](C[5]N[5]O)(N[5]C[5]2)(COO)(H){1|C<3>,2|H<1>,3|C<4>}	106.6090	0.000	1	106.6090	0.000	1	106.6090	0.000	1	110.3148	5.660	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO)	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO){1|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,4|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	111.9390	0.000	1	111.9390	0.000	1	111.9390	0.000	1	110.3148	5.660	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO){1|H<1>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|H<1>,4|C<3>}	111.1130	0.000	1	111.1130	0.000	1	111.8100	0.972	2	110.3148	5.660	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	N[5](C[5]C[6a]C[5]H)2(SC[6a]OO){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	112.5070	0.000	1	112.5070	0.000	1	111.8100	0.972	2	110.3148	5.660	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:3:3:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H)	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]H)(N[5]C[5]S)(H){2|H<1>,5|C<3>}	C[5](C[5]C[6a]C[5])(N[5]C[5]S)(COO)2{2|H<1>,3|C<3>}	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	112.0580	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:C[6a]-3:N[5]-3:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6a]C[6a]H)(C[5]C[5,6a]CH)(SC[6a]OO){4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCHH)(H){2|H<1>,3|C<3>}	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	110.6239	4.106	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CC3)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CC3)(H){1|H<1>,2|C<3>}	109.8900	0.000	1	109.8900	0.000	1	110.4575	4.407	8	110.6239	4.106	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|H<1>,2|C<3>}	109.3658	1.264	5	109.3658	1.598	5	110.4575	4.407	8	110.6239	4.106	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)(H)	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|H<1>,1|S<3>,2|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]S)(N[5]C[5]S)(H){1|C<4>,2|C<3>,4|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CBrHH)(H){1|C<3>,1|H<1>,1|S<3>}	113.4705	0.153	2	113.4705	0.024	2	110.4575	4.407	8	110.6239	4.106	9	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3: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[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H)	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[5](C[6a]C[6a]2)(C[5]N[5]CH)(N[5]C[5]C)(H){3|H<1>,4|C<3>}	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	108.6730	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]N[5]HH)(N[5]C[5]C)(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[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	105.1335	0.122	2	105.1335	0.015	2	105.1335	0.015	2	105.0618	4.271	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]N[5]HH)(N[5]C[5]C)(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[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|C<3>,2|H<1>}	104.0086	0.637	5	104.0086	0.406	5	103.8767	0.429	6	105.0618	4.271	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4: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[5](C[5]N[5]CH)(N[5]C[5]C)(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[5](C[5]N[5]CH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|H<1>}	103.2170	0.000	1	103.2170	0.000	1	103.8767	0.429	6	105.0618	4.271	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5,6]-3:C[6a]-3:N[5]-3:H-1:	C[5,6]-4: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[5](C[5,6]N[5,6]C[6]H)(N[5]C[5]C)(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[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>}	106.3010	0.000	1	106.3010	0.000	1	106.3010	0.000	1	105.0618	4.271	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]C)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|H<1>,2|C<3>}	110.5880	0.000	1	110.5880	0.000	1	110.5880	0.000	1	105.0618	4.271	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){5|C<3>,5|H<1>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|H<1>,4|C<3>}	105.2640	0.000	1	105.2640	0.000	1	105.2640	0.000	1	105.0618	4.271	11	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H)	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[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	106.2110	0.071	2	106.2110	0.005	2	106.1618	1.026	5	106.2007	0.830	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H)	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[5](C[5]N[5]HH)(N[5]C[5]C)(CHHN)(H){1|C<3>,2|H<1>}	105.3035	0.043	2	105.3035	0.002	2	106.1618	1.026	5	106.2007	0.830	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:N[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H)	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[5](C[5]N[5]HH)(N[5]C[5]C)(CH3)(H){1|C<3>,1|C<4>,1|H<1>}	107.7800	0.000	1	107.7800	0.000	1	106.1618	1.026	5	106.2007	0.830	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	N[5]-3:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CH)(SC[6a]OO){2|H<1>,3|C<3>}	C[5](N[5]C[6a]C[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,4|C<3>,5|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]S)(CC[6a]HH)(H){1|H<1>,2|C<3>}	106.3950	0.000	1	106.3950	0.000	1	106.3950	0.000	1	106.2007	0.830	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:2:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:N[5]-3:N[5]-3:O[5]-2:	C[6a]-3:C[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5]O[5])(C[5]C[6a]C[5]H)(SC[6a]OO)	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]S)(O[5]C[5])	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]N[5]O[5])(C[5]C[6a]C[5]H)(SC[6a]OO){7|C<3>}	C[5](C[6a]C[6a]2)(N[5]C[5]2)(N[5]C[5]S)(O[5]C[5]){2|C<4>,2|O<1>,3|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]O[5]C)(N[5]C[5]S)(H){1|N<3>,2|H<1>,3|C<3>}	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	110.6460	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:2:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4:N[5]-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[5](C[5]O[5]HH)(N[5]C[5]C)(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[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{2|C<3>}	102.9853	0.286	3	102.9853	0.082	3	102.9853	0.082	3	102.9853	0.082	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:3:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-3:	N[5]-3:N[5]-3:C-4: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[5](N[5]C[5]C)2(CC3)(H)	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[5](N[5]C[5]C)2(CC3)(H){1|O<1>,2|C<3>}	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	111.3980	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:4:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	N[5]-3:N[5]-3: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[5](N[5]C[6a]C[5])(N[5]C[5]C)(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[5](N[5]C[6a]C[5])(N[5]C[5]C)(H)2{1|C<4>,1|O<1>,3|C<3>}	101.8800	0.000	1	101.8800	0.000	1	101.8800	0.000	1	101.8800	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:3:4:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-3:N[5]-3:C-4:	C[5]-4:N[5]-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,1|N<2>}	107.5510	0.000	1	107.5510	0.000	1	107.5510	0.000	1	107.5510	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:	N[5]-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[5](N[5]C[5]C)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[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	104.7100	0.000	1	104.7100	0.000	1	105.5070	1.270	2	107.5680	13.378	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:	N[5]-3:N[5]-3: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[5](N[5]C[5]C)2(H)2	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[5](N[5]C[5]C)2(H)2{1|C<4>,1|H<1>,1|O<1>}	106.3040	0.000	1	106.3040	0.000	1	105.5070	1.270	2	107.5680	13.378	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|H<1>}	C[5](C[5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	111.6900	0.000	1	111.6900	0.000	1	111.6900	0.000	1	107.5680	13.378	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:4:1:	3:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5,6a]-3:N[5]-3:C-4:H-1:	C[5,6a]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6a]CH)2(SC[6a]OO)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5,6a]CH)2(SC[6a]OO){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CCCH)(H){1|C<4>,2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]S)(CHHO)(H){1|C<4>,2|C<3>,2|H<1>}	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	112.4200	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:4:1:	3:3:4:4:	C[5]-4:C[5]-4:C-4:	N[5]-3:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:C-4:C-4:	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[5](C[5]N[5]O)(N[5]C[5]C)(CH3)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[5](C[5]N[5]O)(N[5]C[5]C)(CH3)2{1|C<3>,1|C<4>,1|H<1>}	101.6600	0.000	1	101.6600	0.000	1	101.6600	0.000	1	105.4265	28.373	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:4:1:	3:3:4:4:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-3:C-4:H-1:	N[5]-3:N[5]-3:C-4:C-4:	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC)	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H)	C[5](N[5]C[5]C[6])(N[5]C[5]C)(CH3)2	N[5](C[6]C[5,6]C[6]H)(C[5]C[5]CH)(C[5]N[5]CC){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]N[5]O)(CC[6a]HH)(H){1|C<3>,1|H<1>,4|C<4>}	C[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>}	109.1930	0.000	1	109.1930	0.000	1	109.1930	0.000	1	105.4265	28.373	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:C-4:	C[5]-3:N[5]-3:C-4:C-4:	N[5]-3:N[5]-3:C-4:C-4:	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[5](N[5]C[5]C)(N[5]C[5]O)(CH3)2	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[5](N[5]C[5]C)(N[5]C[5]O)(CH3)2{1|Se<2>,2|C<4>}	111.3120	0.000	1	111.3120	0.000	1	111.3120	0.000	1	111.7535	0.390	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:4:4:	3:3:4:4:	C[5]-4:C[5]-4:P-4:	C[5,6a]-3:N[5]-3:C-4:C-4:	C[5,6a]-3:N[5]-3:C-4:C-4:	N[5](C[5]C[5,6a]CC)2(PC[6a]2O)	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2	N[5](C[5]C[5,6a]CC)2(PC[6a]2O){2|C<3>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]P)(CH3)2{1|H<1>,2|C<3>,2|C<4>}	112.1950	0.000	1	112.1950	0.000	1	112.1950	0.000	1	111.7535	0.390	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>}	110.7285	0.056	2	110.7285	0.003	2	109.9640	1.755	3	109.9640	1.755	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:3:4:4:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:N[5]-3:C-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]C)(N[5]C[5]S)(CH3)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CC)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CH3)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>}	108.4350	0.000	1	108.4350	0.000	1	109.9640	1.755	3	109.9640	1.755	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[4]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	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[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2	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[5](N[5]C[4]C[5])(C[5]C[5]HH)(H)2{3|C<4>,4|H<1>}	103.8630	0.000	1	103.8630	0.000	1	103.8630	0.000	1	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[3,5,6]C[5,6,6]H)(C[5]C[5]HH)2	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[5,6]C[3,5,6]C[5,6,6]H)(C[5]C[5]HH)2{1|C<3>,3|C<4>,6|H<1>}	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	104.1450	0.000	1	104.1450	0.000	1	103.8160	0.216	2	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5,6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[5,6]C[5,6]C[5]C[6])(C[5]C[5]HH)2{2|C<3>,2|C<4>,8|H<1>}	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5,6]C[5])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	103.4870	0.000	1	103.4870	0.000	1	103.8160	0.216	2	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|C<3>,1|C<4>,8|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	104.2375	1.200	2	105.2328	1.221	6	104.5387	2.551	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|C<4>,1|S<4>,2|O<2>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	106.1920	0.571	2	105.2328	1.221	6	104.5387	2.551	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H){1|N<3>,2|C<4>,7|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	105.2690	0.718	2	105.2328	1.221	6	104.5387	2.551	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(C[6]C[6]2H)	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2	N[5](C[5]C[5]HH)2(C[6]C[6]2H){2|C<4>,2|O<2>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HO)(H)2{1|O<2>,2|C<4>,4|H<1>}	102.4565	0.436	2	102.4565	0.190	2	104.5387	2.551	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C[5]-4:P[6]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]HH)2(P[6]N[6]2O)	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]HH)2(P[6]N[6]2O){2|P<4>,4|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|O<2>,2|N<2>,4|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|O<2>,2|N<2>,4|H<1>}	111.6140	0.000	1	111.6140	0.000	1	111.6140	0.000	1	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6,6]C[3x6]C[6,6]C)(C[5]C[5]HH)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]C)(C[5]C[5]HH)2{1|C<4>,2|C<3>,7|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{1|C<2>,2|C<4>,4|H<1>}	105.8720	0.000	1	105.8720	0.000	1	104.2482	3.555	4	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2{1|C<3>,1|C<4>,1|N<3>,7|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	103.0740	0.000	1	104.4535	3.806	2	104.2482	3.555	4	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[3x6]C[6,6]H)(C[5]C[5]HH)2{1|N<3>,2|C<4>,7|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	105.8330	0.000	1	104.4535	3.806	2	104.2482	3.555	4	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6,6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6,6]C[6,6]2H)(C[5]C[5]HH)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2	N[5](C[6,6]C[6,6]2H)(C[5]C[5]HH)2{1|O<2>,2|C<4>,7|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[6,6]C[5])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	102.2140	0.000	1	102.2140	0.000	1	104.2482	3.555	4	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|C<4>,1|S<4>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	106.9620	0.000	1	105.3197	8.017	4	107.1295	10.500	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|C<4>,2|N<3>,7|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	102.6640	0.000	1	105.3197	8.017	4	107.1295	10.500	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|N<3>,2|C<4>,7|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{2|C<4>,5|H<1>}	103.2010	0.000	1	105.3197	8.017	4	107.1295	10.500	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]C[6]H)(C[5]C[5]HH)2{1|O<1>,3|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,1|C<4>,5|H<1>}	108.4520	0.000	1	105.3197	8.017	4	107.1295	10.500	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2{1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	110.8960	0.000	1	108.9393	7.749	4	107.1295	10.500	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2{1|Cl<1>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	111.7350	0.000	1	108.9393	7.749	4	107.1295	10.500	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]2Fe)(C[5]C[5]HH)2{1|N<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|Fe<11>,2|C<4>,4|H<1>}	106.5630	0.554	2	108.9393	7.749	4	107.1295	10.500	8	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	P[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](P[6]N[5]N[6]2)(C[5]C[5]HH)2	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	N[5](P[6]N[5]N[6]2)(C[5]C[5]HH)2{2|C<4>,2|P<4>,4|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|N<3>,2|N<2>,4|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|N<3>,2|N<2>,4|H<1>}	108.9007	1.266	27	108.9007	1.602	27	109.0735	1.646	34	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:1:1:	P[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](P[6]N[6]2Cl)(C[5]C[5]HH)2	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2	N[5](P[6]N[6]2Cl)(C[5]C[5]HH)2{2|P<4>,4|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|Cl<1>,2|N<2>,4|H<1>}	C[5](N[5]C[5]P[6])(C[5]C[5]HH)(H)2{1|Cl<1>,2|N<2>,4|H<1>}	109.7399	1.209	7	109.7399	1.462	7	109.0735	1.646	34	107.6198	7.206	58	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5]-4:C[5]-4:C[6]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){2|C<4>,8|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CNO)(H){2|C<4>,5|H<1>}	106.8708	0.716	5	106.8708	0.513	5	107.3520	1.799	6	107.3520	1.799	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:1:1:	3:4:3:1:	C[5]-4:C[5]-4:C[6]-4:	N[5]-3:C[5]-4:H-1:H-1:	N[5]-3:C[5]-4:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,2|N<3>,7|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(COO)(H){2|C<4>,5|H<1>}	109.7580	0.000	1	109.7580	0.000	1	107.3520	1.799	6	107.3520	1.799	6	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:2:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	N[5]-3:C-4:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	C[5](N[5]C[5]S)(CC[6a]HH)(O[5]C[5])(H){1|C<4>,3|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,1|H<1>}	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	108.9080	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,4|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	114.4760	0.247	2	114.4760	0.061	2	114.4760	0.061	2	114.4760	0.061	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:3:2:4:	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:O[5]-2:C-4:	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[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3)	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[5](C[6a]C[6a]2)(N[5]C[5]C)(O[5]C[5])(CH3){4|C<3>,4|H<1>}	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	108.4120	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:N[5]-3:N[5]-3: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[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	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[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){4|C<3>,4|H<1>}	108.2630	0.000	1	108.2630	0.000	1	106.7535	4.557	2	106.7535	4.557	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:N[5]-3:N[5]-3: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[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	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[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	105.2440	0.000	1	105.2440	0.000	1	106.7535	4.557	2	106.7535	4.557	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3: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[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(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[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	110.5760	0.000	1	110.5760	0.000	1	107.9177	5.789	3	109.6720	8.667	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3: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[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	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[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|H<1>,5|C<3>}	105.8890	0.000	1	105.8890	0.000	1	107.9177	5.789	3	109.6720	8.667	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[6a]-3:C[5]-4:N[5]-3: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[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H)	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[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]C)(H){3|C<3>,5|H<1>}	107.2880	0.000	1	107.2880	0.000	1	107.9177	5.789	3	109.6720	8.667	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5]-4:C[5]-4:S-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5a]-3:C[5]-4:N[5]-3:H-1:	N[5](C[5]C[5a]C[5]H)2(SC[6a]OO)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	N[5](C[5]C[5a]C[5]H)2(SC[6a]OO){2|C<3>,2|N<3>,4|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5a]C[5a]N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	112.3035	0.091	2	112.3035	0.008	2	112.3035	0.008	2	109.6720	8.667	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	109.9810	0.000	1	109.9810	0.000	1	109.9810	0.000	1	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1: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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	106.0610	0.000	1	106.0610	0.000	1	105.0270	0.803	3	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|H<1>,2|C<4>}	104.4770	0.000	1	104.4770	0.000	1	105.0270	0.803	3	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4: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[5](C[5]C[5]HI)(N[5]C[5]C)(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[5](C[5]C[5]HI)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	104.5430	0.000	1	104.5430	0.000	1	105.0270	0.803	3	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){1|C<4>,2|C<3>,2|N<2>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{3|C<3>,4|H<1>}	104.9780	0.000	1	105.9395	1.849	2	105.9395	1.849	2	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH)	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H)	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2	N[5](C[5]C[5a]C[5]H)(C[5]C[5,6a]2H)(C[5]C[5]HH){1|N<2>,1|N<3>,4|C<3>,4|H<1>}	C[5](C[5a]N[5a]2)(C[5]C[5]HH)(N[5]C[5]2)(H){2|N<2>,3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]2)(H)2{3|C<3>,4|H<1>}	106.9010	0.000	1	105.9395	1.849	2	105.9395	1.849	2	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SCOO)	C[5](C[5]N[5]O[5])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SCOO){1|N<3>,1|O<2>,4|H<1>}	C[5](C[5]N[5]O[5])(C[5]C[5]HH)(N[5]C[5]S)(H){1|Si<5>,2|C<4>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	111.2480	0.000	1	111.2480	0.000	1	111.2480	0.000	1	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|C<4>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<2>,1|H<1>,2|C<3>}	112.2243	0.100	3	112.2243	0.010	3	111.8457	0.780	13	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,5|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){4|C<3>,4|H<1>}	C[5](C[5]C[6a]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|H<1>,4|C<3>}	112.2720	0.000	1	112.2720	0.000	1	111.8457	0.780	13	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|C<4>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.3975	0.103	2	110.3975	0.011	2	111.8457	0.780	13	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	113.0760	0.000	1	113.0760	0.000	1	111.8457	0.780	13	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|N<3>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CN)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|H<1>,1|N<3>,2|C<3>}	112.7540	0.000	1	112.7540	0.000	1	111.8457	0.780	13	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|F<1>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	112.1185	0.719	2	112.1185	0.517	2	111.8457	0.780	13	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|F<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	111.1720	0.000	1	111.1720	0.000	1	111.8457	0.780	13	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){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]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	111.5075	0.913	2	111.5075	0.833	2	111.8457	0.780	13	110.1091	8.715	20	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:2:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-2:H-1:	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[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H)	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[5](C[5]C[5]FF)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	109.7380	0.040	2	109.7380	0.002	2	109.7380	0.002	2	110.4337	1.453	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:2:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:O-2:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HO)(SC[6a]OO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H){1|O<2>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){1|C<3>,3|H<1>}	111.8250	0.000	1	111.8250	0.000	1	111.8250	0.000	1	110.4337	1.453	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){1|C<4>,3|C<3>,4|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(COO)(H){1|H<1>,3|C<3>}	111.5490	0.000	1	111.5490	0.000	1	112.9702	1.038	8	112.9702	1.038	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){2|H<1>,4|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CC)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|H<1>,3|C<3>}	114.3300	0.000	1	114.3300	0.000	1	112.9702	1.038	8	112.9702	1.038	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){3|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){2|C<3>,2|H<1>}	112.4545	0.071	2	112.4545	0.005	2	112.9702	1.038	8	112.9702	1.038	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[5]N[5]H)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]C[5]N[5]H)(N[5]C[5]S)(COO)(H){2|H<1>,4|C<3>}	111.9480	0.000	1	111.9480	0.000	1	112.9702	1.038	8	112.9702	1.038	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H){2|H<1>,4|C<3>}	113.4400	0.000	1	113.4400	0.000	1	112.9702	1.038	8	112.9702	1.038	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){3|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCH)(H){1|C<3>,1|N<3>,2|H<1>}	113.4450	0.000	1	113.4450	0.000	1	112.9702	1.038	8	112.9702	1.038	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H)	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,1|S<4>,2|C<3>,2|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(H){1|N<3>,3|C<3>,4|H<1>}	C[5](C[5]N[5a]C[5]H)(N[5]C[5]S)(COO)(H){1|S<4>,2|H<1>,3|C<3>}	114.1410	0.000	1	114.1410	0.000	1	112.9702	1.038	8	112.9702	1.038	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:3:3:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]CO)(N[5]C[5]S)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CC)(SC[6a]OO){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]S)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5]CO)(N[5]C[5]S)(COO)2{1|C<3>,3|H<1>}	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	112.3390	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	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[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<3>,1|O<2>,2|H<1>}	106.7130	0.000	1	106.7130	0.000	1	106.7130	0.000	1	110.8993	13.157	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|S<2>,2|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(H){1|C<4>,1|S<2>,2|C<3>,4|H<1>}	C[5](C[5]C[5]HS)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	112.8770	0.000	1	112.8770	0.000	1	112.9925	0.027	2	110.8993	13.157	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5]CH)(SC[6a]OO){1|N<3>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]S)(H){1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|N<3>,2|H<1>}	113.1080	0.000	1	113.1080	0.000	1	112.9925	0.027	2	110.8993	13.157	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:1:	4:3:4:4:	C[5]-4:C[5]-4:C-4:	C[5a]-3:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	110.8860	0.000	1	110.8860	0.000	1	110.8860	0.000	1	110.8860	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:4:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO){1|C<2>,1|H<1>,3|C<3>}	C[5](C[6a]C[6a]2)(C[5]C[5]CH)(N[5]C[5]S)(CH3){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,1|H<1>}	115.1150	0.000	2	115.1150	0.000	2	115.1150	0.000	2	115.1150	0.000	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrHH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	113.0680	0.000	1	113.0680	0.000	1	112.9265	0.040	2	112.9265	0.040	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:3:4:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:N[5]-3:C-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(CBrHH)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO){1|S<2>,2|C<3>,3|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HS)(N[5]C[5]S)(CBrHH){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>,1|S<2>}	112.7850	0.000	1	112.7850	0.000	1	112.9265	0.040	2	112.9265	0.040	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	110.2920	0.000	1	110.4405	0.044	2	110.4405	0.044	2	108.8872	3.910	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[5]-4:C[5]-4:C[6]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]2H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<3>,2|C<4>,4|H<1>}	110.5890	0.000	1	110.4405	0.044	2	110.4405	0.044	2	108.8872	3.910	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6,6]O[6]H)(C[5]C[5]CH)(C[5]C[5]HH){1|C<3>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|O<2>,2|C<4>,4|H<1>}	106.3250	0.000	1	106.3250	0.000	1	106.3250	0.000	1	108.8872	3.910	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:4:1:	3:4:1:1:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:P-4:H-1:	N[5]-3:C[5]-4:H-1:H-1:	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2	N[5](C[6]C[6]O[6]H)(C[5]C[5]HH)(C[5]C[5]HP){1|O<2>,2|C<4>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(PC[6a]2O)(H){1|C<4>,1|O<2>,5|H<1>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(H)2{1|C<4>,1|O<2>,1|P<4>,4|H<1>}	108.3430	0.000	1	108.3430	0.000	1	108.3430	0.000	1	108.8872	3.910	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:4:3:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[6a]-3:C[5]-4:C-4:N[5]-3:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(N[5]C[5]S)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]C)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,4|H<1>}	C[5](C[6a]C[6a]2)(C[5]C[5]HH)(CC[6a]BrH)(N[5]C[5]S){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	110.9800	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	3:4:4:4:	3:4:5:1:	C[6]-4:C[5]-4:C[5]-4:	N[5]-3:C[5]-4:C-4:C-4:	N[5]-3:C[5]-4:B-5:H-1:	N[5](C[6]C[6]2Li)(C[5]C[5]BH)(C[5]C[5]CC)	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(BLiCHH)(H)	N[5](C[6]C[6]2Li)(C[5]C[5]BH)(C[5]C[5]CC){2|C<3>,2|H<1>,4|C<4>}	C[5](N[5]C[5]C[6])(C[5]C[5]HH)(CH3)2{1|Li<6>,1|B<5>,1|C<3>,1|H<1>,3|C<4>}	C[5](N[5]C[5]C[6])(C[5]C[5]CC)(BLiCHH)(H){1|C<3>,2|H<1>,3|C<4>}	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	108.7190	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:O[5]-2: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[5](N[5]C[5]C)(O[5]C[5])(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[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<3>,3|H<1>}	100.6624	1.272	2	100.6624	1.619	2	100.6624	1.619	2	100.6624	1.619	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:F-1:F-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[5](N[5]C[5]C)2(F)2	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[5](N[5]C[5]C)2(F)2{4|H<1>}	107.2370	0.000	1	107.2370	0.000	1	107.2370	0.000	1	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]N[5]HH)(CC[6a]HH)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]C)(H)2	C[5](N[5]C[5]C)(N[5]C[5]S)(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[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	103.4645	0.395	2	103.4645	0.156	2	103.9752	2.428	21	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]N[5]HH)(CC[6a]HH)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]C)(H)2	C[5](N[5]C[5]C)(N[5]C[5]S)(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[5](N[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	101.2210	0.000	1	101.2210	0.000	1	103.9752	2.428	21	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]N[5]HH)(CC[6a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[5]C)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[5](N[5]C[5]C)2(H)2{4|H<1>}	104.0696	1.416	14	104.0696	2.004	14	103.9752	2.428	21	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]N[5]HH)(CHHP)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[5]C)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[5](N[5]C[5]C)2(H)2{4|H<1>}	104.8515	3.304	2	104.8515	10.918	2	103.9752	2.428	21	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]N[5]HH)(CN[5a]HH)	C[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	C[5](N[5]C[5]C)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[5](N[5]C[5]C)2(H)2{4|H<1>}	104.3260	1.194	2	104.3260	1.425	2	103.9752	2.428	21	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,3x6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(SC[6a]OO)	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5]C[5]S)(H)2	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,3x6]HH)(C[5]C[5,6,6]HH)(SC[6a]OO){1|C<3>,2|C<4>}	C[5](C[5,3x6]C[5,6,6]C[6,6]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,6|H<1>}	C[5](C[5,6,6]C[5,3x6]C[6,6])(N[5]C[5]S)(H)2{2|H<1>,4|C<4>}	108.5990	0.000	1	108.5990	0.000	1	108.5990	0.000	1	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5,6]HH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	C[5](C[5,5,6]C[5,5]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5,6]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.6820	0.000	1	111.6820	0.000	1	111.6820	0.000	1	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|H<1>,3|C<4>}	111.2265	0.016	2	111.2340	0.001	4	111.2340	0.001	4	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	111.2415	0.045	2	111.2340	0.001	4	111.2340	0.001	4	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2	C[5](C[5]C[5,5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>}	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	107.4720	0.000	1	107.4720	0.000	1	107.4720	0.000	1	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|H<1>,4|C<4>}	111.4780	0.163	2	111.4780	0.026	2	109.6916	4.181	8	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]2)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	110.1028	0.839	4	110.1028	0.704	4	109.6916	4.181	8	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<4>,4|H<1>}	105.2860	0.000	1	107.0830	6.458	2	109.6916	4.181	8	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{2|C<4>,4|H<1>}	108.8800	0.000	1	107.0830	6.458	2	109.6916	4.181	8	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|N<3>,2|C<3>,6|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	106.8945	0.151	2	108.0010	3.877	5	108.0010	3.877	5	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|C<3>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,5|H<1>}	C[5](C[5]C[5,6]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	108.7387	2.388	3	108.0010	3.877	5	108.0010	3.877	5	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]2H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]2H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	107.1534	1.159	5	107.1534	1.343	5	108.2638	1.879	43	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	107.5178	0.850	14	107.5178	0.722	14	108.2638	1.879	43	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]2)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	107.6480	0.000	1	107.6480	0.000	1	108.2638	1.879	43	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<2>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	112.0580	0.000	1	109.0008	1.796	22	108.2638	1.879	43	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	109.0511	1.149	11	109.0008	1.796	22	108.2638	1.879	43	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	108.6398	1.240	10	109.0008	1.796	22	108.2638	1.879	43	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]HH)2(SC[6a]OO)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	108.6600	0.000	1	108.6600	0.000	1	108.2638	1.879	43	107.4857	6.815	85	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:N[5]-3:N[5]-3: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[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	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[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	105.9610	2.173	8	105.9610	4.724	8	105.7658	2.881	14	106.1087	4.439	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:N[5]-3:N[5]-3: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[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	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[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){2|C<3>,6|H<1>}	105.5055	0.857	6	105.5055	0.735	6	105.7658	2.881	14	106.1087	4.439	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[6a]-3:N[5]-3:N[5]-3:H-1:	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2	C[5](C[6a]C[6a]2)(N[5]C[5]C)(N[5]C[5]S)(H)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[5]C[6a]N[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,3|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>}	110.9100	0.000	1	110.9100	0.000	1	110.9100	0.000	1	106.1087	4.439	15	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:	N[5]-3:N[5]-3:C-4: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[5](N[5]C[5]C)2(CCCS)(H)	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[5](N[5]C[5]C)2(CCCS)(H){4|H<1>}	109.3900	0.000	1	109.3900	0.000	1	109.3900	0.000	1	109.4612	0.600	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-3:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(CCHH)(H){2|C<4>,2|H<1>}	108.8470	0.000	1	108.8470	0.000	1	108.8470	0.000	1	109.4612	0.600	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4: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]CH)(SC[6a]OO)	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2	C[5](N[5]C[5]S)2(CC[6a]CH)(H)	N[5](C[5]C[5]HH)(C[5]N[5]CH)(SC[6a]OO){1|S<4>,2|H<1>}	C[5](C[5]N[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|S<4>}	C[5](N[5]C[5]S)2(CC[6a]CH)(H){4|H<1>}	109.8040	1.088	2	109.8040	1.183	2	109.8040	1.183	2	109.4612	0.600	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:4:2:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:O[5]-2:H-1:	N[5](C[5]C[5]HH)(C[5]O[5]CH)(SC[6a]OO)	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]O[5]CH)(SC[6a]OO){1|C<3>,1|H<1>}	C[5](C[5]C[6a]O[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](N[5]C[5]S)(CC[6a]CH)(O[5]C[5])(H){1|C<3>,3|H<1>}	108.1910	0.000	1	108.1910	0.000	1	108.1910	0.000	1	108.5635	0.278	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	3:4:2:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	N[5]-3:C-4:S[5]-2:H-1:	N[5](C[5]C[5]HH)(C[5]S[5]CH)(SC[6a]OO)	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2	C[5](N[5]C[5]S)(CC[6a]CH)(S[5]C[5])(H)	N[5](C[5]C[5]HH)(C[5]S[5]CH)(SC[6a]OO){2|H<1>}	C[5](C[5]S[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>}	C[5](N[5]C[5]S)(CC[6a]CH)(S[5]C[5])(H){4|H<1>}	108.9360	0.000	1	108.9360	0.000	1	108.9360	0.000	1	108.5635	0.278	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3: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[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2	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[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]C)(H)2{1|C<3>,4|H<1>}	106.8600	0.000	1	106.8600	0.000	1	106.8600	0.000	1	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4: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[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(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[5](C[4,5]C[4,5,5]C[4]F)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	105.3980	0.000	1	105.3980	0.000	1	105.3980	0.000	1	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4: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[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(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[5](C[4,5]C[4,5]2H)(N[5]C[5]C)(H)2{2|C<4>,4|H<1>}	103.8675	0.889	2	103.8675	0.790	2	103.8675	0.790	2	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	C[5,5,6,6]-4:N[5]-3:H-1:H-1:	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[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)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[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>}	101.9700	0.000	1	101.9700	0.000	1	101.9700	0.000	1	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4: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[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(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[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>}	103.3725	0.582	2	103.5530	0.267	3	104.0098	0.392	6	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4: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[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(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[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>}	103.9140	0.000	1	103.5530	0.267	3	104.0098	0.392	6	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4: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[5](C[5,5]C[5,5]S[5]H)(N[5]C[5]C)(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[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>}	104.4420	0.000	1	104.4420	0.000	1	104.0098	0.392	6	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3: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[5](C[5,5]C[5,5]C[5]F)(N[5]C[5]C)(H)2	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[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>}	104.1840	0.000	1	104.1840	0.000	1	104.0098	0.392	6	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3: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[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	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[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>}	104.7740	0.000	1	104.7740	0.000	1	104.0098	0.392	6	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]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[5](C[5]C[5,5]HH)(N[5]C[5]C)(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[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	104.8050	0.000	1	104.8050	0.000	1	104.7143	2.313	7	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]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[5](C[5]C[5,5]HH)(N[5]C[5]C)(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[5](C[5]C[5,5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	103.4600	0.000	1	103.4600	0.000	1	104.7143	2.313	7	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]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[5](C[5]C[5,5]CC)(N[5]C[5]C)(H)2	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[5](C[5]C[5,5]CC)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	106.0063	1.286	3	106.0063	1.653	3	104.7143	2.313	7	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]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[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	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[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{2|C<3>,2|H<1>}	103.3580	0.550	2	103.3580	0.303	2	104.7143	2.313	7	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:N[5]-3: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[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(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[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>}	103.3530	0.000	1	103.3530	0.000	1	103.4260	0.011	2	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4: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[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C)(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[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>}	103.4990	0.000	1	103.4990	0.000	1	103.4260	0.011	2	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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(CAlNN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CAlNN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.5873	0.359	3	111.5873	0.129	3	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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(CCCH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	106.6310	0.618	3	106.6310	0.382	3	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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(CCHH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	103.8603	0.770	7	103.8603	0.593	7	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	104.0464	0.621	9	104.0464	0.385	9	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[5a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	104.2930	0.675	5	104.2930	0.456	5	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[6]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	103.0145	1.455	2	103.0145	2.116	2	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[6a]2H)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	103.6763	0.195	6	103.6763	0.038	6	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[6a]CH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	104.0737	0.674	3	104.0737	0.455	3	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[6a]HH)	C[5](C[5]C[5]CH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HS)(N[5]C[5]C)(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[5](C[5]C[5]HS)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	102.9050	0.000	1	102.9050	0.000	1	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[6a]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	105.2230	0.000	1	105.2230	0.000	1	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[6a]HH)	C[5](C[5]C[5]HO)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]C)(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[5](C[5]C[5]HO)(N[5]C[5]C)(H)2{1|O<2>,3|H<1>}	102.8308	0.601	5	102.8308	0.361	5	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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(CH3)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	C[5](C[5]C[5]CN)(N[5]C[5]C)(H)2	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[5](C[5]C[5]CN)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	102.6910	0.000	1	102.6910	0.000	1	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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(CLiNN)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CLiNN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.1150	0.000	1	111.1150	0.000	1	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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(CMoCC)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	N[5](C[5]C[5]HH)2(CMoCC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	111.5480	0.000	1	111.5480	0.000	1	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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(CN[5]HH)	C[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{4|H<1>}	105.8880	0.000	1	105.8880	0.000	1	104.7631	6.347	49	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:	N[5]-4:N[5]-3: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[5](N[5]C[5]NiC)(N[5]C[5]C)(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[5](N[5]C[5]NiC)(N[5]C[5]C)(H)2{4|H<1>}	103.8790	0.201	2	103.8790	0.040	2	103.8790	0.040	2	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:C[6]-4:	C[5,6,6]-4:N[5]-3:H-1:H-1:	C[5,6,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6,6]HH)2(C[6]C[6]2Ru)	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2	N[5](C[5]C[5,6,6]HH)2(C[6]C[6]2Ru){4|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2{1|Ru<11>,2|C<3>,3|C<4>,4|H<1>}	C[5](C[5,6,6]C[5,6,6]C[3x6]H)(N[5]C[5]C[6])(H)2{1|Ru<11>,2|C<3>,3|C<4>,4|H<1>}	110.5260	0.000	1	110.5260	0.000	1	110.5260	0.000	1	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PC[6a]2Se)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PC[6a]2Se){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	109.2210	0.000	1	109.2210	0.000	1	109.6880	0.656	27	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PN[5]2I)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2I){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	109.6870	0.000	1	109.6870	0.000	1	109.6880	0.656	27	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PN[5]2N)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2N){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	109.7630	0.859	10	109.7630	0.739	10	109.6880	0.656	27	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PN[5]2Rh)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2Rh){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	109.4413	0.938	3	109.4413	0.879	3	109.6880	0.656	27	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PN[5]2Se)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]2Se){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	109.8200	0.734	3	109.8200	0.539	3	109.6880	0.656	27	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PN[5]NN)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]NN){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	109.2967	1.340	3	109.2967	1.795	3	109.6880	0.656	27	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PN[5]SeC)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PN[5]SeC){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	109.4010	0.082	2	109.4010	0.007	2	109.6880	0.656	27	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:P-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(PRhOO)	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2	N[5](C[5]C[5]HH)2(PRhOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]P)(H)2{4|H<1>}	110.1407	0.823	4	110.1407	0.677	4	109.6880	0.656	27	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)2(SCOO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SCOO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{5|H<1>}	110.7390	0.000	1	110.7390	0.000	1	110.1383	2.286	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]2C[3])(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO){3|C<4>}	C[5](C[3,5]C[3,5]2C[3])(N[5]C[5]S)(H)2{4|C<4>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	111.4815	4.143	2	111.4815	17.164	2	110.1383	2.286	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5]C[3]2)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,5|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	109.7415	0.440	4	109.7415	0.194	4	110.1383	2.286	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO){3|C<4>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	108.3850	0.000	2	108.3850	0.000	2	110.1383	2.286	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	109.9365	0.562	2	109.9365	0.316	2	110.1383	2.286	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<2>,2|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{2|C<4>,3|H<1>}	111.5030	0.000	1	110.5107	0.754	3	110.1383	2.286	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<4>,4|H<1>}	110.1400	0.000	1	110.5107	0.754	3	110.1383	2.286	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{1|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{5|H<1>}	109.8890	0.000	1	110.5107	0.754	3	110.1383	2.286	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]HH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[6a]C[3])(N[5]C[5]S)(H)2{3|C<3>,4|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	111.2310	0.000	1	111.2310	0.000	1	110.1383	2.286	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SCOO)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SCOO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.4210	0.000	1	111.4210	0.000	1	111.9098	0.529	4	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]Br)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	112.2780	0.000	1	112.2780	0.000	1	111.9098	0.529	4	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3x5,6]-4:N[5]-3:H-1:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|Cl<1>,1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]Cl)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	111.9700	1.097	2	111.9700	1.204	2	111.9098	0.529	4	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[4,5,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(SC[6a]OO)	C[5](C[4,5,5]C[4,5]2O[5])(N[5]C[5]S)(H)2	C[5](C[4,5]C[4,5,5]C[4]H)(N[5]C[5]S)(H)2	N[5](C[5]C[4,5,5]HH)(C[5]C[4,5]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<4>}	C[5](C[4,5,5]C[4,5]2O[5])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[4,5]C[4,5,5]C[4]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<4>}	108.3450	0.000	1	108.3450	0.000	1	108.3450	0.000	1	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[4,5]HH)2(SC[6a]OO)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	N[5](C[5]C[4,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,4|H<1>}	106.9330	0.000	1	107.1478	0.034	4	107.1478	0.034	4	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[4,5]HH)2(SC[6a]OO)	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2	N[5](C[5]C[4,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[4,5]C[4,5]C[4]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	107.2193	0.144	3	107.1478	0.034	4	107.1478	0.034	4	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	C[5](C[5,5,6]C[3x5,6]C[5,6]C[6a])(N[5]C[5]S)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|O<2>,3|C<3>}	C[5](C[5,5,6]C[3x5,6]C[5,6]C[6a])(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<4>,3|C<3>,3|H<1>}	111.2040	0.448	2	111.2040	0.201	2	110.8326	0.597	5	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	110.0510	0.127	2	110.5850	0.864	3	110.8326	0.597	5	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[3x5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO)	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]HH)(C[5]C[5,5,6]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5,6]C[3x5,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	111.6530	0.000	1	110.5850	0.864	3	110.8326	0.597	5	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|H<1>,3|C<4>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	106.0290	0.000	1	106.0290	0.000	1	107.6534	4.759	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,2|H<1>}	106.0740	0.000	1	106.0740	0.000	1	107.6534	4.759	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	105.8270	0.000	1	105.8270	0.000	1	107.6534	4.759	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	109.2070	0.000	1	107.4133	3.412	3	107.6534	4.759	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	107.5160	0.000	1	107.4133	3.412	3	107.6534	4.759	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	105.5170	0.000	1	107.4133	3.412	3	107.6534	4.759	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(H)2{3|C<4>,3|H<1>}	108.8052	2.900	6	108.8052	8.410	6	107.6534	4.759	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,5|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	107.6085	0.076	2	107.6085	0.006	2	107.6534	4.759	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)2(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|O<2>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]C)(N[5]C[5]S)(H)2{2|C<4>,3|H<1>}	106.5830	0.000	1	106.5830	0.000	1	107.6534	4.759	15	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SCOO)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SCOO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,5]C[5]3)(N[5]C[5]S)(H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.8910	0.000	1	111.8910	0.000	1	111.1060	1.232	2	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,5]C[5]2O[5])(N[5]C[5]S)(H)2	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5,5]C[5]2O[5])(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,1|N<2>,4|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	110.3210	0.000	1	110.3210	0.000	1	111.1060	1.232	2	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5,6]C[3,6]C[5,6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	108.0850	0.000	1	108.0850	0.000	1	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	110.7620	0.000	1	110.7620	0.000	1	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	111.3340	0.000	1	110.5075	1.366	2	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	C[5](C[5,6]C[5,6]2H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	109.6810	0.000	1	110.5075	1.366	2	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	110.9400	0.519	3	110.9400	0.269	3	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<2>,1|C<3>,1|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	108.1220	0.000	1	107.4370	0.422	3	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]C)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	107.0945	0.374	2	107.4370	0.422	3	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	111.2190	0.000	1	109.9271	3.282	11	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	107.4490	0.000	1	109.9271	3.282	11	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	110.7760	1.626	2	109.9271	3.282	11	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,4|H<1>}	107.2800	0.000	1	109.9271	3.282	11	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,5|H<1>}	109.2230	3.048	2	109.9271	3.282	11	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	110.4785	0.180	2	109.9271	3.282	11	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{2|C<4>,5|H<1>}	111.1475	0.129	2	109.9271	3.282	11	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	110.9630	0.143	3	110.9630	0.020	3	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)2(SC[6a]OO)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,4|H<1>}	109.6390	0.000	1	109.6390	0.000	1	109.8688	2.720	25	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]HH)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,1|N<2>,2|C<3>}	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|N<2>,2|H<1>}	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(H)2{3|H<1>,4|C<3>}	109.9940	0.276	2	109.9940	0.076	2	109.9940	0.076	2	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SCOO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SCOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	111.4010	0.000	1	111.4010	0.000	1	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6]OO){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	111.8330	0.000	1	111.8330	0.000	1	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	111.0320	2.690	2	110.2063	5.663	3	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,3|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|C<3>,2|H<1>}	108.5550	0.000	1	110.2063	5.663	3	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	109.6076	1.714	5	110.0567	1.363	13	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){2|C<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	110.2779	0.679	7	110.0567	1.363	13	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	110.7540	0.000	1	110.0567	1.363	13	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	109.3980	0.000	1	109.3980	0.000	1	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|N<2>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|N<2>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	110.9540	0.000	1	111.6395	0.940	2	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|N<3>,3|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	112.3250	0.000	1	111.6395	0.940	2	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|O<1>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<1>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	110.0490	0.000	1	110.0117	0.095	3	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	109.6870	0.000	1	110.0117	0.095	3	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	110.2990	0.000	1	110.0117	0.095	3	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|Si<4>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|Si<4>,3|H<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	106.1190	0.021	2	106.1190	0.000	2	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	112.4790	0.000	1	112.4790	0.000	1	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,3|C<4>}	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	109.5110	0.000	1	109.5110	0.000	1	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	110.5787	0.283	3	110.5787	0.080	3	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	111.2260	0.000	1	111.2260	0.000	1	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{2|C<3>,4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	109.9110	0.000	1	109.9110	0.000	1	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|Si<4>,1|C<3>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|Si<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]SiH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	105.0280	0.000	1	105.0280	0.000	1	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SC[6a]OO){1|H<1>,1|O<2>,2|C<3>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[6a]C[5]O)(N[5]C[5]S)(H)2{3|C<3>,3|H<1>}	110.1550	0.000	1	110.1550	0.000	1	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:1:1:	C[5]-4:C[5]-4:S-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(SNOO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]HH)2(SNOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{4|H<1>}	113.3680	0.000	1	113.3680	0.000	1	110.0821	3.288	36	107.9645	9.614	208	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:O-2:H-1:	N[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(SCOO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H)	N[5](C[5]C[5,5]HH)(C[5]C[5,5]HO)(SCOO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(OC)(H){1|O<1>,2|C<4>,3|H<1>}	112.3860	0.000	1	112.3860	0.000	1	112.3860	0.000	1	111.5283	0.596	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:2:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:O-2:H-1:	N[5](C[5]C[5]HH)(C[5]C[5]HO)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H)	N[5](C[5]C[5]HH)(C[5]C[5]HO)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(OC)(H){4|H<1>}	111.0995	0.298	2	111.0995	0.089	2	111.0995	0.089	2	111.5283	0.596	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5]-4:C[6a]-3:N[5]-3: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[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H)	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[5](C[5]C[5,5]CC)(C[6a]C[6a]2)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	105.9620	0.866	4	105.9620	0.750	4	105.9620	0.750	4	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	107.1616	0.865	5	107.1616	0.748	5	107.0013	4.604	24	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	110.4200	0.000	1	110.4200	0.000	1	107.0013	4.604	24	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	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[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	110.1373	0.532	3	110.1373	0.283	3	107.0013	4.604	24	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H)	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[5](C[5]C[5]CH)(N[5]C[5]C)(CCH)(H){1|C<4>,3|H<1>}	103.7160	0.000	1	103.7160	0.000	1	107.0013	4.604	24	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	106.3277	1.621	6	106.3277	2.629	6	107.0013	4.604	24	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	106.1700	0.000	1	106.1700	0.000	1	107.0013	4.604	24	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){4|H<1>}	107.4450	0.000	1	107.4450	0.000	1	107.0013	4.604	24	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CNO)(H){4|H<1>}	106.0155	2.351	6	106.0155	5.526	6	107.0013	4.604	24	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	110.7893	1.113	3	110.7893	1.240	3	110.9802	1.180	19	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]S)(CCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(CCC)(H){4|H<1>}	112.1440	0.000	1	112.1440	0.000	1	110.9802	1.180	19	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CC)(N[5]C[5]S)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(CNO)(H){4|H<1>}	112.4005	0.392	2	112.4005	0.154	2	110.9802	1.180	19	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrC)(H){4|H<1>}	112.8530	0.000	1	112.8530	0.000	1	110.9802	1.180	19	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){4|H<1>}	110.2300	0.000	1	110.2300	0.000	1	110.9802	1.180	19	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CNO)(H){4|H<1>}	110.2375	0.565	8	110.2375	0.319	8	110.9802	1.180	19	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){4|H<1>}	111.4423	0.935	3	111.4423	0.874	3	110.9802	1.180	19	108.5213	7.085	47	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5,6]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[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H)	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[5](C[5,5]C[5,5,6]C[5]H)(N[5]C[5]C)(CH3)(H){3|C<4>,4|H<1>}	104.3440	0.000	1	104.3440	0.000	1	104.3440	0.000	1	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]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[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]C)(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[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>}	103.9670	0.000	1	103.9670	0.000	1	103.9670	0.000	1	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]-4:N[5]-3:C-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	106.9340	0.000	1	106.9340	0.000	1	106.0556	3.611	19	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]-4:N[5]-3:C-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){4|H<1>}	103.9080	0.011	2	103.9080	0.000	2	106.0556	3.611	19	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]-4: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[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(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[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,3|H<1>}	107.0680	0.000	1	107.0680	0.000	1	106.0556	3.611	19	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(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[5](C[5]C[5]HH)(N[5]C[5]C)(CCHH)(H){4|H<1>}	105.1425	2.459	2	105.1425	6.045	2	106.0556	3.611	19	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]-4:N[5]-3:C-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CFHS)(H){4|H<1>}	105.2740	0.000	1	105.2740	0.000	1	106.0556	3.611	19	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]-4:N[5]-3:C-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	107.9850	0.174	2	107.9850	0.030	2	106.0556	3.611	19	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]-4:N[5]-3:C-4: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[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	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[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|N<3>,3|H<1>}	105.5508	2.398	5	105.5508	5.751	5	106.0556	3.611	19	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]-4:N[5]-3:C-4: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[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H)	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[5](C[5]C[5]HN)(N[5]C[5]C)(CF3)(H){1|O<2>,3|H<1>}	108.4280	0.000	1	108.4280	0.000	1	106.0556	3.611	19	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]-4:N[5]-3:C-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CCCO)(H){2|C<3>,2|H<1>}	108.1230	0.000	1	108.1230	0.000	1	106.0556	3.611	19	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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]-4:N[5]-3:C-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CHHO)(H){4|H<1>}	105.8017	1.379	3	105.8017	1.901	3	106.0556	3.611	19	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2{1|H<1>,2|C<4>}	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){3|H<1>}	110.8500	0.000	1	110.8500	0.000	1	110.9003	0.096	3	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|O<2>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CHHO)(H){3|H<1>}	110.9255	0.435	2	110.9255	0.189	2	110.9003	0.096	3	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[3x5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)(SC[6a]OO)	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]S)(H)2	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[5,5]2C[5])(N[5]C[5]S)(H)2{1|C<3>,1|N<3>,3|H<1>,4|C<4>}	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	109.6270	0.000	1	109.6270	0.000	1	109.8087	0.032	3	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[3x5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)(SC[6a]OO)	C[5](C[3x5]C[5,6a]C[5,5]2)(N[5]C[5]S)(H)2	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[3x5]HH)(C[5]C[5,5]CH)(SC[6a]OO){1|C<3>,1|H<1>,2|C<4>}	C[5](C[3x5]C[5,6a]C[5,5]2)(N[5]C[5]S)(H)2{1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5](C[5,5]C[3x5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|H<1>,4|C<4>}	109.8995	0.118	2	109.8995	0.014	2	109.8087	0.032	3	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:H-1:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){3|C<4>,3|H<1>}	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){2|C<4>,5|H<1>}	111.7420	0.000	1	111.7420	0.000	1	110.5358	1.567	6	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|N<3>,2|H<1>,3|C<4>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	111.5830	0.676	2	110.2946	1.522	5	110.5358	1.567	6	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:H-1:H-1:	C[5,6]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,4|H<1>}	109.4357	0.220	3	110.2946	1.522	5	110.5358	1.567	6	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[5a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[5a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){4|H<1>}	111.8540	0.000	1	111.8540	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]Cl2)(N[5]C[5]S)(CHHN)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|Cl<1>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{2|Cl<1>,1|C<4>,1|H<1>}	C[5](C[5]C[5]Cl2)(N[5]C[5]S)(CHHN)(H){1|C<4>,3|H<1>}	110.4680	0.000	1	110.4680	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	111.1710	0.000	1	111.5830	0.339	2	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	111.9950	0.000	1	111.5830	0.339	2	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CBrCH)(H){4|H<1>}	108.7130	0.000	1	108.7130	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){4|H<1>}	110.0875	0.878	2	110.0875	0.770	2	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCS)(H){4|H<1>}	108.7260	0.808	2	108.7260	0.652	2	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHI)(H){4|H<1>}	109.8100	0.000	1	109.8100	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHS)(H){4|H<1>}	111.2970	0.000	1	111.2970	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){4|H<1>}	110.7520	0.000	1	110.7520	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){4|H<1>}	110.7490	0.911	2	110.7490	0.829	2	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHOP)(H){4|H<1>}	111.6570	0.000	1	111.6570	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<4>,2|H<1>}	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	111.7380	0.000	1	111.7380	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|N<2>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,1|N<2>,2|H<1>}	C[5](C[5]C[5]HN)(N[5]C[5]S)(CHHO)(H){1|O<2>,3|H<1>}	112.0580	0.495	2	112.0580	0.245	2	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<3>,2|H<1>}	C[5](C[5]C[6a]2C[5])(N[5]C[5]S)(H)2{1|C<4>,3|H<1>,4|C<3>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){2|C<3>,2|H<1>}	111.2450	0.000	1	111.2450	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHI)(H){1|C<3>,3|H<1>}	110.8390	0.000	1	110.8390	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SNOO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SNOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){4|H<1>}	110.5290	0.000	1	110.5290	0.000	1	110.7290	1.272	21	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:1:	C[5]-4:C[5]-4:Si-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SiCOO)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SiCOO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H){4|H<1>}	108.5820	0.000	1	108.5820	0.000	1	108.5820	0.000	1	108.8295	7.394	56	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:C-4:	C[4,5]-4:N[5]-3:H-1:H-1:	C[4,5]-4:N[5]-3:C-4:C-3:	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[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO)	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[5](C[4,5]C[4,5]O[4]C)(N[5]C[5]C)(CHHO)(COO){1|C<3>,3|H<1>}	108.8410	0.000	1	108.8410	0.000	1	108.8410	0.000	1	110.2240	3.466	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	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[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO)	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[5](C[5]C[5]HO)(N[5]C[5]C)(CCHH)(COO){4|H<1>}	111.1920	0.000	1	111.1920	0.000	1	109.8460	3.623	2	110.2240	3.466	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:C-3:	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[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)(COO)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CC[6a]CH)(COO){4|H<1>}	108.5000	0.000	1	108.5000	0.000	1	109.8460	3.623	2	110.2240	3.466	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:1:1:	4:3:4:3:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:H-1:H-1:	C[3,5]-4:N[5]-3:C-4:C-3:	N[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(CF3)(COO)	N[5](C[5]C[3,5]CC)(C[5]C[3,5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[3,5]C[3,5]C[3]C)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(CF3)(COO){1|C<3>,4|H<1>}	112.3630	0.000	1	112.3630	0.000	1	112.3630	0.000	1	110.2240	3.466	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	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[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	103.5830	0.000	1	103.5830	0.000	1	102.7365	1.433	2	102.7365	1.433	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:2:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[3x6]-4:N[5]-3:O[5]-2:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H)	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[5](C[5]O[5]HH)(N[5]C[5]C)(CC[6a]HH)(H){1|C<4>,1|H<1>}	101.8900	0.000	1	101.8900	0.000	1	102.7365	1.433	2	102.7365	1.433	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:2:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:O[5]-2: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[5](N[5]C[5]C)(O[5]C[5])(H)2	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[5](N[5]C[5]C)(O[5]C[5])(H)2{2|C<3>,2|H<1>}	103.7630	0.000	1	103.7630	0.000	1	103.7630	0.000	1	103.7630	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:2:3:1:	C[5]-4:C[5]-4:C-4:	C[4,5]-4:C[6a]-3:N[5]-3:H-1:	C[6a]-3:S[5]-2:N[5]-3: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[5](C[6a]C[6a]2)(S[5]C[4,5])(N[5]C[5]C)(H)	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[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>}	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	107.8500	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:2:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	N[5]-3:S[5]-2:C-4: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[5](N[5]C[5]C)(S[5]C[5])(CHHS)(H)	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[5](N[5]C[5]C)(S[5]C[5])(CHHS)(H){1|C<3>,3|H<1>}	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	108.3170	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:C-4:	C[6]-4:C[5]-3:N[5]-3:H-1:	N[5]-3:N[5]-3: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[5](N[5]C[6a]C[5])(N[5]C[5]C)(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[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>}	102.8480	0.000	1	102.8480	0.000	1	102.8480	0.000	1	110.2858	30.486	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|S<2>,3|C<3>,6|H<1>}	C[5](C[5,5]C[5,5]C[5])(N[5]C[5]S)(H)2{1|C<4>,1|S<2>,2|C<3>,2|H<1>}	112.4030	4.113	2	112.4030	16.913	2	112.4030	16.913	2	110.2858	30.486	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO){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]S)(H){4|C<3>,6|H<1>}	C[5](C[5,6]C[5,6]C[6])(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	113.4890	0.000	1	113.4890	0.000	1	113.4890	0.000	1	110.2858	30.486	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:3:3:1:	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:N[5]-3: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[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	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[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){3|H<1>,5|C<3>}	106.9220	0.533	2	106.9220	0.284	2	106.9220	0.284	2	108.1058	2.004	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[6a]-3:N[5]-3:N[5]-3: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[5](C[6a]C[6a]2)(N[5]C[5]C)2(H)	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[5](C[6a]C[6a]2)(N[5]C[5]C)2(H){4|C<3>,4|H<1>}	109.0430	0.000	1	109.0430	0.000	1	109.0430	0.000	1	108.1058	2.004	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:C[6a]-3:N[5]-3:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H)	N[5](C[5]C[5,5]C[6a]H)(C[5]C[6a]N[5]H)(SC[6a]OO){7|C<3>}	C[5](C[5,5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|H<1>,6|C<3>}	C[5](N[5]C[5,5]C[6a])(C[6a]C[6a]2)(N[5]C[5]S)(H){3|H<1>,7|C<3>}	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	108.1058	2.004	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	3:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	N[5]-3:N[5]-3:C-4: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[5](N[5]C[5]C)2(CH3)(H)	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[5](N[5]C[5]C)2(CH3)(H){2|C<3>,2|H<1>}	106.5583	1.464	4	106.5583	2.143	4	106.5583	2.143	4	106.5583	2.143	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:	C[6a]-3:C[5]-4:N[5]-3: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[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H)	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[5](C[6a]C[6a]2)(C[5]C[5]HN)(N[5]C[5]C)(H){4|C<3>,4|H<1>}	104.7830	0.000	1	104.7830	0.000	1	104.7830	0.000	1	104.7830	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6,6]-4:N[5]-3: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[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	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[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>}	102.4160	0.000	1	102.3030	0.289	3	102.3030	0.289	3	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6,6]-4:N[5]-3: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[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	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[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>}	102.7750	0.000	1	102.3030	0.289	3	102.3030	0.289	3	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6,6]-4:N[5]-3: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[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	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[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>}	101.7180	0.000	1	102.3030	0.289	3	102.3030	0.289	3	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6,6]-4:N[5]-3:C-3:H-1:	C[5,5,6,6]-4:N[5]-3:H-1: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[5](C[5,5,6,6]C[5,5,6,6]C[5,6,6a]2)(N[5]C[5]C)(H)2	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[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>}	105.4920	0.000	1	105.4920	0.000	1	105.4920	0.000	1	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	103.6580	0.000	1	103.6072	0.143	4	103.6072	0.143	4	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,3|H<1>}	103.5903	0.461	3	103.6072	0.143	4	103.6072	0.143	4	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:N[5]-3:H-1:	C[5]-4: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[5](C[5]N[5]HH)(N[5]C[5]C)(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[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|H<1>,2|C<4>}	105.4975	1.237	2	105.4975	1.530	2	105.4975	1.530	2	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	N[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]N[5]HH)(N[5]C[5]C)(H)2	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[5](C[5]N[5]HH)(N[5]C[5]C)(H)2{1|Mg<6>,1|C<3>,2|H<1>}	102.2640	0.000	1	102.2640	0.000	1	102.2640	0.000	1	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<4>,1|H<1>,1|N<2>,7|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H){1|N<2>,2|H<1>,4|C<3>}	C[5](C[5]C[5]CN)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	104.8260	0.000	1	104.8260	0.000	1	106.9400	3.828	3	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H)	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|C<2>,1|C<4>,1|H<1>,1|O<2>,6|C<3>}	C[5](C[5]C[5]CH)(N[5]C[5]2)(COO)(H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5]CO)(N[5]C[5]2)(H)2{1|C<4>,2|H<1>,4|C<3>}	108.6870	0.000	1	108.6870	0.000	1	106.9400	3.828	3	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H)	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2	N[5](C[5]C[5,6a]2C[6a])(C[5]C[5]CH)(C[5]C[5]HH){1|F<1>,1|O<2>,2|H<1>,6|C<3>}	C[5](C[5]C[5]FH)(N[5]C[5]2)(COO)(H){1|O<2>,3|C<3>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]2)(H)2{1|F<1>,2|H<1>,4|C<3>}	107.3070	0.000	1	107.3070	0.000	1	106.9400	3.828	3	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:C[6a]-3:N[5]-3:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]C[6a]H)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,3|C<3>}	C[5](C[3,5]C[3,5]C[3]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,7|H<1>}	C[5](C[3,5]C[3,5]C[3]H)(N[5]C[5]S)(H)2{2|C<3>,3|H<1>}	109.9860	0.000	1	109.9860	0.000	1	109.9860	0.000	1	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3x5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3x5,6]C[6a]H)(C[5]C[5,5,6]HH)(SC[6a]OO)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3x5,6]C[6a]H)(C[5]C[5,5,6]HH)(SC[6a]OO){1|O<2>,5|C<3>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,5|C<3>,5|H<1>}	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	113.4230	0.000	1	113.4230	0.000	1	113.4230	0.000	1	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5,6]-4:C[6a]-3:N[5]-3:H-1:	C[3x5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5,6]C[6a]H)(C[5]C[3x5,6]HH)(SC[6a]OO)	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2	N[5](C[5]C[5,5,6]C[6a]H)(C[5]C[3x5,6]HH)(SC[6a]OO){1|C<4>,1|O<2>,4|C<3>}	C[5](C[5,5,6]C[3x5,6]C[5,6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|Br<1>,1|C<4>,1|O<2>,3|C<3>,5|H<1>}	C[5](C[3x5,6]C[5,5,6]C[5,6]O[5,5])(N[5]C[5]S)(H)2{2|C<4>,2|H<1>,3|C<3>}	111.6840	0.000	1	111.6840	0.000	1	111.6840	0.000	1	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	110.8870	0.000	1	110.8870	0.000	1	110.8870	0.000	1	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5]HH)(SC[6a]OO){1|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]2)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<2>,5|C<3>,6|H<1>}	C[5](C[5]C[5,5]CH)(N[5]C[5]S)(H)2{1|H<1>,3|C<3>}	112.1190	1.954	2	112.1190	3.820	2	112.1190	3.820	2	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<2>,1|C<4>,2|C<3>,2|H<1>}	112.8990	0.000	1	112.0203	2.638	3	112.0203	2.638	3	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|H<1>,4|C<3>}	C[5](C[5,6]C[5,6]C[6]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,3|C<3>,7|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>,3|C<3>}	111.5810	2.029	2	112.0203	2.638	3	112.0203	2.638	3	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]BrH)(C[6a]C[6a]2)(N[5]C[5]S)(H){2|C<3>,6|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|H<1>}	112.1850	0.000	1	112.1850	0.000	1	112.1850	0.000	1	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H)	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|Br<1>,1|C<4>,1|H<1>,1|O<2>}	C[5](C[5]C[5]BrH)(N[5]C[5]S)(CCH)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CO)(N[5]C[5]S)(H)2{1|Br<1>,1|C<3>,2|H<1>}	110.5490	0.000	1	110.5490	0.000	1	111.3912	0.503	4	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CN[6]O)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	111.8290	0.643	2	111.8290	0.414	2	111.3912	0.503	4	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H)	C[5](C[5]C[5]CS)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(COO)(H){1|C<3>,1|S<2>,2|H<1>}	C[5](C[5]C[5]CS)(N[5]C[5]S)(H)2{1|C<3>,3|H<1>}	111.3580	0.000	1	111.3580	0.000	1	111.3912	0.503	4	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:H-1:O-1:	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O)	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H){1|O<1>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)(O){2|C<3>,2|H<1>}	113.1840	0.000	1	113.1840	0.000	1	113.1840	0.000	1	108.2111	17.043	29	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:2:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-2:H-1:	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[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CN)(H){1|C<3>,3|H<1>}	105.3970	0.000	1	105.3970	0.000	1	105.3970	0.000	1	110.2087	17.383	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:2:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:O-2:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO)	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO){1|C<3>,3|H<1>}	C[5](C[5]C[5]C[6]H)(N[5]C[5]S)(CCO)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H){2|C<3>,2|H<1>}	112.7520	0.000	1	112.7520	0.000	1	112.6145	0.038	2	110.2087	17.383	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:2:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:O-2:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H)	N[5](C[5]C[5]CH)(C[5]C[5]HO)(SC[6a]OO){1|C<3>,3|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CCO)(H){1|O<2>,2|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(OH)(H){2|C<3>,2|H<1>}	112.4770	0.000	1	112.4770	0.000	1	112.6145	0.038	2	110.2087	17.383	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:C[5a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3: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[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H)	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[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>}	107.2210	0.242	2	107.2210	0.058	2	107.2210	0.058	2	107.5599	3.485	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H)	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[5](C[5]C[5,5]HH)(N[5]C[5]C)(CCH)(H){1|H<1>,3|C<3>}	103.7830	0.000	1	103.7830	0.000	1	103.7830	0.000	1	107.5599	3.485	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<3>,3|H<1>}	109.2660	0.000	1	109.2660	0.000	1	109.2660	0.000	1	107.5599	3.485	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H){1|O<1>,1|O<2>,2|C<4>,3|C<3>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	108.2555	0.798	2	108.4760	0.465	3	108.4760	0.465	3	107.5599	3.485	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C[6]-4:	C[5,6]-4:N[5]-3:C-3:H-1:	C[5]-4:N[5]-3:C[6a]-3:H-1:	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H)	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H)	N[5](C[5]C[6a]C[5]H)(C[5]C[5,6]CH)(C[6]C[6]2H){3|C<4>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]C[6])(CC[6a]O)(H){1|O<1>,3|C<3>,3|C<4>,5|H<1>}	C[5](C[5]C[5,6]C[6a]H)(N[5]C[5]C[6])(C[6a]C[6a]2)(H){3|C<4>,4|H<1>,6|C<3>}	108.9170	0.000	1	108.4760	0.465	3	108.4760	0.465	3	107.5599	3.485	7	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]O[5]O)(N[5]C[5]S)(COO)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO){1|C<4>,2|O<2>,3|C<3>}	C[5](C[5,5]C[5,5]C[5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,2|O<2>,4|C<3>,4|H<1>}	C[5](C[5,5]C[5,5]O[5]O)(N[5]C[5]S)(COO)2{1|H<1>,2|C<3>,2|C<4>}	110.4110	0.000	1	110.4110	0.000	1	112.3110	2.860	3	112.3175	1.937	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]S)(COO)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO){1|N<3>,2|C<4>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]N[5]C)(N[5]C[5]S)(COO)2{1|C<4>,2|H<1>,3|C<3>}	113.6510	0.000	1	113.6510	0.000	1	112.3110	2.860	3	112.3175	1.937	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO)	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(COO)2	N[5](C[5]C[5,5]C[6a]H)(C[5]C[5,5]CC)(SC[6a]OO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5](C[5,5]C[5,6a]C[5,5]C)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|N<3>,3|H<1>,6|C<3>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(COO)2{1|H<1>,2|C<4>,3|C<3>}	112.8710	0.000	1	112.8710	0.000	1	112.3110	2.860	3	112.3175	1.937	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:C[6a]-3:N[5]-3:H-1:	C[5,6]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]S)(COO)2	N[5](C[5]C[5,6]C[6a]H)(C[5]C[5,6]CC)(SC[6a]OO){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|O<2>,4|C<3>,5|H<1>}	C[5](C[5,6]C[5,6]O[6]H)(N[5]C[5]S)(COO)2{1|C<3>,2|C<4>,2|H<1>}	114.4060	0.000	1	114.4060	0.000	1	114.4060	0.000	1	112.3175	1.937	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CC)(SC[6a]OO)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]S)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CC)(SC[6a]OO){1|O<2>,2|H<1>,3|C<3>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|O<2>,2|H<1>,5|C<3>}	C[5](C[5,5]C[5,6a]C[5]O[5])(N[5]C[5]S)(COO)2{1|C<4>,3|C<3>,3|H<1>}	112.1160	1.298	2	112.1160	1.685	2	111.8003	0.802	4	112.3175	1.937	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:3:3:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-3:C-3:	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CC)(SC[6a]OO)	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H)	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(COO)2	N[5](C[5]C[6a]C[5]H)(C[5]C[5,5]CC)(SC[6a]OO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5](C[5]C[5,5]HH)(C[6a]C[6a]2)(N[5]C[5]S)(H){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[5](C[5,5]C[5]2N[5])(N[5]C[5]S)(COO)2{1|C<3>,1|S<4>,2|C<4>,5|H<1>}	111.4845	0.568	2	111.4845	0.322	2	111.8003	0.802	4	112.3175	1.937	8	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4: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[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCCH)(H)	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[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>}	107.1560	0.000	1	107.1560	0.000	1	107.1560	0.000	1	106.5243	6.820	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)2(CCHH)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(COO)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC3)(H)	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[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>}	103.6550	0.000	1	103.6550	0.000	1	106.2085	13.041	2	106.5243	6.820	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-3:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)2(CH3)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CC[6a]O)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CCHH)(H)	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[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>}	108.7620	0.000	1	108.7620	0.000	1	106.2085	13.041	2	106.5243	6.820	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:4:3:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:C[6a]-3:N[5]-3:H-1:	C[5,5]-4:N[5]-3:C-4:C-3:	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[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(CH3)(COO)	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[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>}	105.0760	0.000	1	105.0760	0.000	1	105.0760	0.000	1	105.0760	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:4:4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	111.2980	0.406	2	111.2980	0.165	2	110.1423	4.089	3	110.1423	4.089	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:1:	4:3:4:4:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-3:N[5]-3:H-1:	C[5]-4:N[5]-3:C-4:C-4:	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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|C<3>,1|H<1>,2|C<4>}	107.8310	0.000	1	107.8310	0.000	1	110.1423	4.089	3	110.1423	4.089	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:3:2:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[6a]-3:N[5]-3:O[5]-2:	C[5]-4: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[5](C[5]O[5]HH)(N[5]C[5]C)(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[5](C[5]O[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>}	104.8730	0.000	1	104.8730	0.000	1	104.8730	0.000	1	104.8730	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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:O[5]-2: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[5](N[5]C[5]C)(O[5]C[5])(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[5](N[5]C[5]C)(O[5]C[5])(H)2{1|C<4>,3|H<1>}	105.4150	0.000	1	105.4150	0.000	1	105.4150	0.000	1	105.4150	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	3:2:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H)	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]S)(O[5]C[5])(CCHH)(H){1|C<4>,3|H<1>}	108.9545	0.455	2	108.9545	0.207	2	108.6450	0.391	3	108.6450	0.391	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	3:2:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	N[5]-3:O[5]-2:C-4:H-1:	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO)	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H)	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H)	N[5](C[5]C[5]CH)(C[5]O[5]CH)(SC[6a]OO){2|H<1>}	C[5](C[5]O[5]HH)(N[5]C[5]S)(CF3)(H){1|C<4>,1|H<1>}	C[5](N[5]C[5]S)(O[5]C[5])(CCCH)(H){1|C<4>,3|H<1>}	108.0260	0.000	1	108.0260	0.000	1	108.6450	0.391	3	108.6450	0.391	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHO)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	112.6210	0.000	1	112.6210	0.000	1	111.4893	2.212	3	111.4893	2.212	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H)	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CH3)(H){1|C<3>,2|H<1>}	C[5](C[5]C[5]C)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	110.9235	1.582	2	110.9235	2.502	2	111.4893	2.212	3	111.4893	2.212	3	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3: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[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(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[5](C[5,6]C[5,5,6]C[6]H)(N[5]C[5]C)(H)2{3|H<1>,4|C<4>}	104.2710	0.000	1	104.2710	0.000	1	104.2710	0.000	1	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:H-1: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[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]C)(H)2	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[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>}	104.0750	0.000	1	104.0750	0.000	1	104.0750	0.000	1	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[3,5]-4:N[5]-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[5](C[3,5]C[3]C[5]N[3])(N[5]C[5]C)(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[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>}	104.3840	0.000	1	104.3840	0.000	1	104.3840	0.000	1	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[5]-4:N[5]-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	108.2970	0.000	1	108.2970	0.000	1	108.1945	0.407	4	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	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[5]-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[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	108.1603	0.777	3	108.1603	0.603	3	108.1945	0.407	4	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:P-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PC[6a]2Rh)	C[5](C[5]C[5]RhH)(N[5]C[5]P)(CC[6a]HH)(H)	C[5](C[5]C[5]RhC)(N[5]C[5]P)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(PC[6a]2Rh){1|C<4>,1|H<1>}	C[5](C[5]C[5]RhH)(N[5]C[5]P)(CC[6a]HH)(H){1|C<4>,2|H<1>}	C[5](C[5]C[5]RhC)(N[5]C[5]P)(H)2{1|C<4>,2|H<1>}	101.4470	0.000	1	101.4470	0.000	1	101.4470	0.000	1	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(H)2	N[5](C[5]C[3,5]CH)(C[5]C[3,5]HH)(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(H)2{1|C<4>,2|H<1>}	109.5590	0.000	1	109.5590	0.000	1	109.5590	0.000	1	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|C<3>,3|C<4>,3|H<1>}	111.5310	0.000	1	111.5310	0.000	1	111.5777	0.470	7	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5,5]H)(N[5]C[5]S)(CC[6a]HH)(H){3|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	112.6890	0.000	1	112.6890	0.000	1	111.5777	0.470	7	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CCHH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	110.9497	0.178	3	110.9497	0.032	3	111.5777	0.470	7	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO)	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H)	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,5]C[5,5]N[5]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,2|C<4>,3|H<1>}	C[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]S)(H)2{1|N<3>,2|C<4>,4|H<1>}	111.9875	0.043	2	111.9875	0.002	2	111.5777	0.470	7	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SCOO)	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SCOO){2|C<3>,2|H<1>}	C[5](C[5,5]C[5,6a]C[5]2)(N[5]C[5]S)(CCHH)(H){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|H<1>,2|C<3>}	110.2440	0.000	1	110.2440	0.000	1	111.2710	2.109	2	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5,5]C[5]3)(N[5]C[5]S)(CC[6a]HH)(H)	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5,5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,5]C[5]3)(N[5]C[5]S)(CC[6a]HH)(H){1|O<1>,2|C<4>,6|H<1>}	C[5](C[5]C[5,5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|H<1>,2|C<4>}	112.2980	0.000	1	112.2980	0.000	1	111.2710	2.109	2	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	110.7630	0.000	1	110.7920	0.002	2	110.7603	0.737	13	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CCCH)(H){2|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{3|C<4>,4|H<1>}	110.8210	0.000	1	110.7920	0.002	2	110.7603	0.737	13	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(CH3)(H){1|C<3>,1|C<4>,5|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,2|C<4>,3|H<1>}	110.6770	0.000	1	110.6770	0.000	1	110.7603	0.737	13	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<4>,1|N<3>,2|H<1>}	C[5](C[5,6]C[5,6]N[6]H)(N[5]C[5]S)(CC[6a]HH)(H){1|C<3>,1|C<4>,4|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	110.5008	0.888	5	110.5008	0.788	5	110.7603	0.737	13	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5,6]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO)	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H)	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]CH)(C[5]C[5,6]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5,6]C[6,6a]C[5,6]H)(N[5]C[5]S)(CCHH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5,6]C[5,6]C[6]H)(N[5]C[5]S)(H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	111.0238	1.117	5	111.0238	1.249	5	110.7603	0.737	13	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5,6]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(SC[6a]OO)	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H)	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2	N[5](C[5]C[5,6]HH)(C[5]C[5]CH)(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5]C[5,6]HH)(N[5]C[5]S)(CCCH)(H){2|C<4>,2|H<1>}	C[5](C[5,6]C[5]C[6]2)(N[5]C[5]S)(H)2{3|C<4>,7|H<1>}	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SCOO){1|O<2>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|O<2>,3|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	110.7150	0.000	1	110.7150	0.000	1	110.6009	4.213	11	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H)	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|F<1>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC3)(H){1|F<1>,3|H<1>}	C[5](C[5]C[5]FH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	110.6670	0.000	1	110.6670	0.000	1	110.6009	4.213	11	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	109.6180	0.000	1	109.6180	0.000	1	110.6009	4.213	11	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6]BrH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	104.8670	0.000	1	104.8670	0.000	1	110.6009	4.213	11	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]2H)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	110.5390	0.000	1	110.5390	0.000	1	110.6009	4.213	11	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]FH)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	111.2680	0.000	1	111.2680	0.000	1	110.6009	4.213	11	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CC[6a]HO)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	112.4730	0.000	1	112.4730	0.000	1	110.6009	4.213	11	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	111.6565	0.148	2	111.6565	0.022	2	110.6009	4.213	11	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H)	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){2|C<4>,2|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHS)(H){2|C<4>,2|H<1>}	C[5](C[5]C[5]CC)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	111.2840	0.000	1	111.2840	0.000	1	110.6009	4.213	11	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H)	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	C[5](C[5]C[6a]C[5]H)(N[5]C[5]S)(CH3)(H){1|C<4>,2|C<3>,3|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.8660	0.000	1	111.8660	0.000	1	110.6009	4.213	11	109.9498	6.585	43	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	B[5]-4:N[5]-3:N-3: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[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(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[5](B[5]C[5]Br2)(N[5]C[5]C)(NCC)(H){1|C<4>,3|H<1>}	113.3110	0.000	1	113.3110	0.000	1	113.3110	0.000	1	109.5684	5.177	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(COO)(H){1|C<4>,3|H<1>}	109.1930	0.000	1	109.1930	0.000	1	109.4385	0.121	2	109.5684	5.177	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3: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[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H)	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[5](C[5]C[5]HO)(N[5]C[5]C)(COO)(H){1|C<4>,1|O<2>,2|H<1>}	109.6840	0.000	1	109.6840	0.000	1	109.4385	0.121	2	109.5684	5.177	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:3:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-3:H-1:	N[5](C[5]C[5]CH)2(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<3>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCC)(H){1|C<4>,3|H<1>}	107.8270	0.694	2	107.8270	0.482	2	107.8270	0.482	2	109.5684	5.177	5	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H)	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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)(H){1|C<4>,3|H<1>}	104.3720	0.000	1	104.3720	0.000	1	107.4810	4.943	5	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H)	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[5](C[5]C[5]HO)(N[5]C[5]C)(CCHO)(H){1|C<4>,3|H<1>}	109.0430	0.000	1	109.0430	0.000	1	107.4810	4.943	5	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H)	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[5](C[5]C[5]HO)(N[5]C[5]C)(CH3)(H){1|C<4>,1|O<2>,2|H<1>}	109.0280	0.000	1	109.0280	0.000	1	107.4810	4.943	5	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H)	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[5](C[5]C[5]HO)(N[5]C[5]C)(CHHO)(H){1|C<4>,1|O<2>,2|H<1>}	109.1050	0.000	1	109.1050	0.000	1	107.4810	4.943	5	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4: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[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H)	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[5](C[5]C[5]HO)(N[5]C[5]C)(CC[5a]HH)(H){1|C<4>,3|H<1>}	105.8570	0.000	1	105.8570	0.000	1	107.4810	4.943	5	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[3,5]-4:N[5]-3:C-4:H-1:	C[3,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[3,5]CH)2(SC[6a]OO)	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H)	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H)	N[5](C[5]C[3,5]CH)2(SC[6a]OO){1|C<4>,1|H<1>,1|O<2>}	C[5](C[3,5]C[3,5]O[3]C)(N[5]C[5]S)(CH3)(H){1|C<4>,2|H<1>}	C[5](C[3,5]C[3,5]O[3]H)(N[5]C[5]S)(CF3)(H){1|H<1>,2|C<4>}	112.4140	0.828	3	112.4140	0.686	3	112.4140	0.686	3	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5,5]-4:N[5]-3:C-4:H-1:	C[5,5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5,5]CH)2(SCOO)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H)	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5,5]CH)2(SCOO){2|H<1>,2|O<2>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CCHO)(H){1|O<2>,2|C<4>,2|H<1>}	C[5](C[5,5]C[5,5]O[5]H)(N[5]C[5]S)(CH3)(H){1|O<2>,2|C<4>,2|H<1>}	111.0203	0.252	4	111.0203	0.063	4	111.0203	0.063	4	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(SC[6a]OO)	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H)	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]CH)(N[5]C[5]S)(CHHS)(H){1|C<4>,1|O<2>,2|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]S)(CC[6a]HH)(H){2|C<4>,2|H<1>}	110.3320	0.000	1	110.3320	0.000	1	110.7356	0.374	5	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCHH)(H){1|C<4>,3|H<1>}	111.0530	0.000	1	111.0530	0.000	1	110.7356	0.374	5	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CH3)(H){1|C<4>,3|H<1>}	110.3170	0.170	2	110.3170	0.029	2	110.7356	0.374	5	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](C[5]C[5]CH)2(SC[6a]OO)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H)	N[5](C[5]C[5]CH)2(SC[6a]OO){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CCCH)(H){1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(CHHO)(H){1|C<4>,3|H<1>}	111.6590	0.000	1	111.6590	0.000	1	110.7356	0.374	5	110.1415	4.911	17	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:1:	4:3:4:4:	C[5]-4:C[5]-4:C-4:	C[5]-4:N[5]-3:C-4:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(CH3)2{1|H<1>,3|C<4>}	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	110.5390	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:3:	3:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:N[5]-3:C-4:C-3:	N[5]-3:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CC)(C[5]N[5]HH)(SC[6a]OO)	C[5](C[5]C[6a]N[5]C)(N[5]C[5]S)(CH3)(COO)	C[5](N[5]C[5]H)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CC)(C[5]N[5]HH)(SC[6a]OO){1|H<1>,2|C<3>}	C[5](C[5]C[6a]N[5]C)(N[5]C[5]S)(CH3)(COO){2|C<3>,3|H<1>}	C[5](N[5]C[5]H)(N[5]C[5]S)(H)2{1|C<4>,3|C<3>}	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	111.1780	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:3:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5,5]-4:N[5]-3: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[5](C[5,5]C[5,5]C[5]H)(N[5]C[5]C)(H)2	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[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>}	107.7920	0.396	2	107.7920	0.157	2	107.7920	0.157	2	108.2193	1.223	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:3:4:3:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:N[5]-3:C-4:C-3:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2	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[5](C[5]C[5,5]CH)(N[5]C[5]C)(H)2{1|C<4>,3|C<3>}	108.6465	1.668	2	108.6465	2.782	2	108.6465	2.782	2	108.2193	1.223	4	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[4]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2	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[5](C[5]C[6a]C[5]H)(N[5]C[5]C)(H)2{1|C<4>,2|H<1>,3|C<3>}	102.8970	0.000	1	102.8970	0.000	1	102.8970	0.000	1	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5,5]-4:C[4]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5,5]C[6a]H)(N[5]C[5]C)(H)2	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[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>}	108.5290	0.000	1	108.5290	0.000	1	108.5290	0.000	1	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	108.5070	0.000	1	108.5070	0.000	1	106.7305	3.544	11	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<3>,1|C<4>,2|H<1>}	109.7040	0.000	1	109.7040	0.000	1	106.7305	3.544	11	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4: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[5](C[5]C[5]HN)(N[5]C[5]C)(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[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	108.5050	0.000	1	107.9345	0.651	2	106.7305	3.544	11	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4: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[5](C[5]C[5]HN)(N[5]C[5]C)(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[5](C[5]C[5]HN)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	107.3640	0.000	1	107.9345	0.651	2	106.7305	3.544	11	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	105.8980	0.000	1	105.9820	0.014	2	106.7305	3.544	11	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4: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[5](C[5]C[5]HH)(N[5]C[5]C)(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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	106.0660	0.000	1	105.9820	0.014	2	106.7305	3.544	11	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3: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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2	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[5](C[5]C[5]HH)(N[5]C[5]C)(H)2{1|C<4>,3|H<1>}	105.5984	1.757	5	105.5984	3.087	5	106.7305	3.544	11	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO)	C[5](CC[6a]2N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]CH)(C[5]C[5]HH)(SC[6a]OO){4|H<1>}	C[5](CC[6a]2N[5a])(C[5]C[5]HH)(N[5]C[5]S)(H){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,3|H<1>}	109.3990	0.000	1	109.3990	0.000	1	109.3990	0.000	1	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]2H)(C[5]C[5]HH)(SC[6a]OO){1|C<4>,2|O<2>,4|H<1>}	C[5](C[5]C[5]O[5]H)(C[5]C[5]HO)(N[5]C[5]S)(H){1|O<2>,2|C<4>,5|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<4>,1|O<2>,2|H<1>}	109.2530	0.000	2	109.2530	0.000	2	109.2530	0.000	2	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{1|C<3>,1|C<4>,2|H<1>}	111.9380	0.000	1	111.5722	0.526	5	111.5722	0.526	5	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5]-4:C[5]-4:S-4:	C[5]-4:C[6]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:H-1:H-1:	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO)	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H)	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2	N[5](C[5]C[5]C[6]H)(C[5]C[5]HH)(SC[6a]OO){3|C<4>,4|H<1>}	C[5](C[5]C[5]CH)(C[6]C[6]2H)(N[5]C[5]S)(H){2|C<4>,8|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]S)(H)2{2|C<4>,2|H<1>}	111.4808	0.804	4	111.5722	0.526	5	111.5722	0.526	5	108.1537	7.500	21	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:3:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:N[5]-3:N[5]-3: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[5](C[5]C[5]2Fe)(N[5]C[5]C)(N[5]C[5]H)(H)	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[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>}	103.7030	0.000	1	103.7030	0.000	1	103.7030	0.000	1	103.7030	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	4:4:4:	4:4:3:1:	4:4:3:1:	C[5]-4:C[5]-4:C-4:	C[5]-4:C[5]-4:N[5]-3:H-1:	C[5]-4:C[5]-4:N[5]-3: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[5](C[5]C[5]O[5]H)(C[5]C[5]HH)(N[5]C[5]C)(H)	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[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>}	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	107.7580	0.000	1	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	5:SP3_SP3_SP3	N[5]	C[5]	C[5]	5:4:4:	4:3:1:1:	4:3:4:1:	Si-5:C[5]-4:C[5]-4:	C[5]-4:N[5]-3:H-1:H-1:	C[5]-4:N[5]-3:C-4:H-1:	N[5](SiC[6]LiCO)(C[5]C[5]CH)(C[5]C[5]HH)	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H)	N[5](SiC[6]LiCO)(C[5]C[5]CH)(C[5]C[5]HH){4|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Si)(H)2{1|C<4>,3|H<1>}	C[5](C[5]C[5]HH)(N[5]C[5]Si)(CHHO)(H){4|H<1>}	106.3230	0.315	2	106.3230	0.099	2	106.3230	0.099	2	106.3230	0.099	2	108.3536	9.496	1250	107.8812	10.410	3073
542	474	474	6:SP2_SP3_SP3	N[5,3x6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6,6]-4:C[5,6,6]-4:C[6,6]-3:	N[5,3x6]-3:C[5,5]-4:C[6,6]-4:H-1:	N[5,3x6]-3:C[6,6]-4:C[5]-4:H-1:	N[5,3x6](C[5,6,6]C[5,5]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H)	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H)	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H)	N[5,3x6](C[5,6,6]C[5,5]C[6,6]H)(C[5,6,6]C[6,6]C[5]H)(C[6,6]C[6,6]H){2|C<3>,3|C<4>,5|H<1>}	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[5,5]C[5,6a]C[5]2)(C[6,6]C[3x6]HH)(H){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[5,6,6](N[5,3x6]C[5,6,6]C[6,6])(C[6,6]C[3x6]CH)(C[5]C[5,5]HH)(H){1|C<4>,3|C<3>,3|H<1>}	100.2510	0.000	1	100.2510	0.000	1	100.2510	0.000	1	100.2510	0.000	1	100.2510	0.000	1	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6,6]	C[5,5,6,6]	C[5,6,6]	4:4:3:	3:4:2:3:	4:3:4:1:	C[5,5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,5]-4:S[5,6]-2:C[6]-3:	C[5,5,6,6]-4:N[5,6,6]-3:C[6]-4:H-1:	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O)	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O)	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H)	N[5,6,6](C[5,5,6,6]C[5,5]S[5,6]C[6])(C[5,6,6]C[5,5,6,6]C[6]H)(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|S<2>,2|C<4>,2|O<2>,3|H<1>}	C[5,5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,5]C[5,5,6,6]HH)(S[5,6]C[5,6,6])(C[6]N[5,6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[5,6,6](C[5,5,6,6]C[5,6,6]C[5,5]O)(N[5,6,6]C[5,5,6,6]C[6])(C[6]C[6]HO)(H){1|C<4>,1|O<1>,1|S<2>,2|C<3>,4|H<1>}	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	108.7180	0.000	1	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6,6]	C[5,6,6]	C[5,6,6]	4:4:3:	3:4:4:1:	3:4:3:2:	C[5,6,6]-4:C[5,6,6]-4:C[6]-3:	N[5,6,6]-3:C[5,6]-4:C[6,6]-4:H-1:	N[5,6,6]-3:C[5]-4:C[6]-3:S[6]-2:	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H)	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6])	N[5,6,6](C[5,6,6]C[5,6]C[6,6]H)(C[5,6,6]C[5]C[6]S[6])(C[6]C[5,6]O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>,4|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5,6]C[5]C[6]H)(C[6,6]C[6,6]HO)(H){1|C<3>,1|S<2>,2|C<4>,2|O<1>,3|H<1>}	C[5,6,6](N[5,6,6]C[5,6,6]C[6])(C[5]C[5,6]HH)(C[6]N[5,6]O)(S[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	107.6895	0.064	2	107.6895	0.004	2	107.6895	0.004	2	107.6895	0.004	2	107.6895	0.004	2	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6,6]	C[5,6,6]	C[5,6]	4:4:3:	3:4:3:3:	3:4:4:1:	C[5,6,6]-4:C[5,6]-4:C[5,6]-3:	C[6,6a]-3:C[5,6]-4:N[5,6,6]-3:C[5]-3:	N[5,6,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5])	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H)	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H)	N[5,6,6](C[5,6,6]C[6,6a]C[5,6]C[5])(C[5,6]C[5]C[6]H)(C[5,6]C[6]O[5]){2|C<4>,3|C<3>,8|H<1>}	C[5,6,6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5]C[6]H)(N[5,6,6]C[5,6]2)(C[5]C[5]H){1|O<2>,2|C<3>,3|C<4>,7|H<1>}	C[5,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6,6a]HH)(C[5]O[5]HH)(H){2|C<4>,3|C<3>}	120.7530	0.000	1	120.7530	0.000	1	120.7530	0.000	1	120.7530	0.000	1	120.7530	0.000	1	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(COO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]O)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|O<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]O)(N[5,6]C[5,6]C)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	108.3070	0.000	1	108.3070	0.000	1	109.6033	1.262	3	109.6033	1.262	3	109.1570	1.276	5	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:3:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-3:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(COO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]S[5,6]O)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<1>,1|S<2>,3|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]S[5,6]O)(N[5,6]C[5,6]C)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]S[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<3>,3|H<1>}	110.2515	0.057	2	110.2515	0.003	2	109.6033	1.262	3	109.6033	1.262	3	109.1570	1.276	5	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(COO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|O<2>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]O[5,6]HH)(N[5,6]C[5,6]C)(H){3|H<1>}	C[5,6](C[5,5,6]C[5,5]O[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,3|H<1>}	107.7510	0.000	1	107.7510	0.000	1	107.7510	0.000	1	108.4875	1.085	2	109.1570	1.276	5	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:3:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:C[5,5]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(COO)	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H)	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(COO){1|C<3>,1|C<4>,4|H<1>}	C[5,5,6](C[5,6]C[5,6]C[6]H)(C[5,5]C[5,5,6]HH)(N[5,6]C[5,6]C)(H){2|C<3>,5|H<1>}	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(H)2{1|C<4>,5|H<1>}	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	108.4875	1.085	2	109.1570	1.276	5	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6,6]	C[5,5,6]	4:4:3:	4:4:3:1:	3:4:4:2:	C[5,6,6]-4:C[5,5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5,5]-4:C[5]-4:O[6]-2:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5]O[6])(C[5]C[5]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H)	C[5,5,6](N[5,6]C[5,6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[6]C[6])	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,5,6]C[5,5]C[5]O[6])(C[5]C[5]O){1|C<3>,5|C<4>,7|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,5,6]C[5])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[5,5,6](N[5,6]C[5,6,6]C[5])(C[5,5]C[5]2H)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<4>,9|H<1>}	122.7525	0.036	2	122.7525	0.001	2	122.7525	0.001	2	122.7525	0.001	2	122.7525	0.001	2	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6,6]	C[5,6]	4:4:3:	4:4:3:1:	3:3:4:2:	C[5,6,6]-4:C[5,6]-4:C[5]-3:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[6a]-3:C[5]-4:O[6]-2:	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6a]C[5]O[6])(C[5]C[5]O)	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H)	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6])	N[5,6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[5,6]C[6a]C[5]O[6])(C[5]C[5]O){3|C<3>,4|C<4>,5|H<1>}	C[5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]C[6]H)(N[5,6]C[5,6]C[5])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[5]C[5]HH)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,6|H<1>}	124.2375	0.342	2	124.2375	0.117	2	124.2375	0.117	2	124.2375	0.117	2	124.2375	0.117	2	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:1:	3:3:3:3:	4:4:3:3:	C[5,6]-4:C[5,6]-4:H-1:	N[3,5]-3:N[5,6]-3:C[6a]-3:C[6]-3:	C[3,5]-4:C[6]-4:N[5,6]-3:C-3:	N[5,6](C[5,6]N[3,5]C[6a]C[6])(C[5,6]C[3,5]C[6]C)(H)	C[5,6](N[3,5]C[3,5]C[3])(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]C)	C[5,6](C[3,5]N[3,5]C[3]C)(C[6]C[6a]N[6]H)(N[5,6]C[5,6]H)(COO)	N[5,6](C[5,6]N[3,5]C[6a]C[6])(C[5,6]C[3,5]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[5,6](N[3,5]C[3,5]C[3])(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[6]N[6]C){1|C<4>,3|H<1>,5|C<3>}	C[5,6](C[3,5]N[3,5]C[3]C)(C[6]C[6a]N[6]H)(N[5,6]C[5,6]H)(COO){1|H<1>,5|C<3>}	101.9280	0.000	1	101.9280	0.000	1	101.9280	0.000	1	101.9280	0.000	1	106.8591	39.343	9	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(COO)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,2|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<3>,1|C<4>,3|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<3>,1|C<4>,3|H<1>}	105.5160	0.000	1	105.5160	0.000	1	105.5860	0.013	3	105.5795	0.009	4	106.8591	39.343	9	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(COO)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,1|F<1>,7|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]FH)(H){1|C<4>,1|O<1>,3|H<1>}	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>}	105.7150	0.000	1	105.7150	0.000	1	105.5860	0.013	3	105.5795	0.009	4	106.8591	39.343	9	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(COO)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<4>,2|O<2>,6|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HO)(H){1|C<4>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H){1|C<4>,5|H<1>}	105.5270	0.000	1	105.5270	0.000	1	105.5860	0.013	3	105.5795	0.009	4	106.8591	39.343	9	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(COO)	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<4>,8|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]C[3,6]HH)(C[5]C[5]HH)(H){1|O<2>,2|C<4>,3|H<1>}	105.5600	0.000	1	105.5600	0.000	1	105.5600	0.000	1	105.5795	0.009	4	106.8591	39.343	9	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:3:	C[5,6]-4:C[5,6]-4:C-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:C-3:	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CC[6a]O)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(COO)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CC[6a]O){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<3>,1|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(COO){1|C<4>,5|H<1>}	105.4100	0.000	1	105.4100	0.000	1	105.4100	0.000	1	105.4100	0.000	1	106.8591	39.343	9	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCO)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(CH3)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]C)(C[5,6]C[5]C[6]H)(CCO){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]HH)(CH3){3|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]CC)(C[6]C[6]HH)(H){2|C<4>,4|H<1>}	104.6680	0.000	1	104.6680	0.000	1	104.6680	0.000	1	104.6680	0.000	1	106.8591	39.343	9	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(COO)	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO){1|C<3>,1|O<2>,7|H<1>}	C[5,6](C[5]C[6a]C[5]H)(N[5,6]C[5,6]C)(C[6]O[6]HH)(H){1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]O[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	104.1320	0.000	1	104.1320	0.000	1	104.1320	0.000	1	104.1320	0.000	1	106.8591	39.343	9	110.7217	61.545	23
542	474	474	6:SP2_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	123.2760	0.000	1	123.2760	0.000	1	123.2760	0.000	1	123.2760	0.000	1	106.8591	39.343	9	110.7217	61.545	23
542	474	474	6:SP3_SP3_SP3	N[3x5,6]	C[5,5,6,6]	C[5,6]	4:4:4:	3:4:3:4:	3:4:1:1:	C[3x5,6]-4:C[5,5,6,6]-4:C[5,6]-4:	N[3x5,6]-3:C[5,6,6]-4:C[5,6]-3:C-4:	N[3x5,6]-3:C[5,6]-4:H-1:H-1:	N[3x5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[6a])(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6]HH)	C[5,5,6,6](N[3x5,6]C[3x5,6]C[5,6])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]O)(CH3)	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2	N[3x5,6](C[3x5,6]C[5,5,6,6]O[5,6]C[6a])(C[5,5,6,6]C[5,6,6]C[5,6]C)(C[5,6]C[5,6]HH){1|O<1>,2|C<3>,5|H<1>}	C[5,5,6,6](N[3x5,6]C[3x5,6]C[5,6])(C[5,6,6]C[5,5,6,6]HH)(C[5,6]O[5,6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[5,6](N[3x5,6]C[5,5,6,6]C[3x5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|H<1>,1|O<2>,2|C<3>,2|C<4>}	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	110.5070	0.000	1	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[3x5,6]	C[5,5,6]	C[5,5,6]	4:4:2:	3:4:3:4:	3:4:4:1:	C[5,5,6]-4:C[5,5,6]-4:O[5,5]-2:	N[3x5,6]-3:C[5,6]-4:C[6a]-3:C[5]-4:	N[3x5,6]-3:C[5,6]-4:C[5]-4:H-1:	N[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH)	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H)	N[3x5,6](C[5,5,6]C[5,6]C[6a]C[5])(C[5,5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6]){3|C<3>,8|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]CH)(C[6a]C[6a]2)(C[5]C[5]HH){1|C<4>,2|C<3>,6|H<1>}	C[5,5,6](N[3x5,6]C[5,5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|C<4>,3|H<1>}	102.9330	0.000	1	102.9330	0.000	1	102.9330	0.000	1	102.9330	0.000	1	102.9330	0.000	1	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6,6]	C[5,5,6,6]	C[5,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH){4|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|C<3>,3|O<2>,5|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|C<3>,1|O<2>,3|C<4>,4|H<1>}	107.0375	1.051	2	107.6257	0.830	4	107.6257	0.830	4	107.6257	0.830	4	107.6257	0.830	4	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6,6]	C[5,5,6,6]	C[5,6]	4:4:4:	4:3:4:1:	4:3:1:1:	C[5,5,6,6]-4:C[5,5,6,6]-4:C[5,6]-4:	C[5,5,3x6]-4:N[5,5,6,6]-3:C[5,3x6]-4:H-1:	C[5,6,6]-4:N[5,5,6,6]-3:H-1:H-1:	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH)	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H)	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2	N[5,5,6,6](C[5,5,6,6]C[5,5,3x6]C[5,3x6]H)(C[5,5,6,6]C[5,5,3x6]C[6,6]O)(C[5,6]C[5,6,6]HH){4|H<1>,6|C<4>}	C[5,5,6,6](C[5,5,3x6]C[5,5,3x6]C[5,3x6]C[6])(N[5,5,6,6]C[5,5,6,6]C[5,6])(C[5,3x6]C[5,5x6]C[6,6]H)(H){1|O<2>,6|C<4>,8|H<1>}	C[5,6](C[5,6,6]C[5,5,3x6]C[6]C)(N[5,5,6,6]C[5,5,6,6]2)(H)2{1|O<2>,4|C<4>,4|H<1>}	108.2140	0.000	2	107.6257	0.830	4	107.6257	0.830	4	107.6257	0.830	4	107.6257	0.830	4	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5,6]	4:4:4:	3:4:3:4:	4:3:3:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	N[5,5,6]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH){1|N<2>,1|N<3>,7|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH){1|C<3>,7|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,5|H<1>}	107.9540	0.000	1	107.8815	0.011	2	107.8815	0.011	2	107.8815	0.011	2	107.8815	0.011	2	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[3x5,6]	C[5,6]	4:4:4:	3:4:3:4:	4:3:3:1:	C[3x5,6]-4:C[5,6]-4:C[5]-4:	N[5,5,6]-3:C[5,5]-4:C[5,6]-3:C[5]-4:	C[5,5,6]-4:N[5,5,6]-3:C-3:H-1:	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH)	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H)	N[5,5,6](C[3x5,6]C[5,5]C[5,6]C[5])(C[5,6]C[5,5,6]CH)(C[5]C[5]HH){2|N<2>,7|H<1>}	C[3x5,6](N[5,5,6]C[5,6]C[5])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]N)(C[5]C[5]HH){1|C<3>,6|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,5,6]C[3x5,6]C[5])(CNO)(H){1|C<3>,2|C<4>,4|H<1>}	107.8090	0.000	1	107.8815	0.011	2	107.8815	0.011	2	107.8815	0.011	2	107.8815	0.011	2	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6,6]	C[5,6]	4:4:2:	3:4:4:4:	3:4:1:1:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:	N[5,5,6]-3:C[5,6]-4:C[6]-4:C[6]-4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	N[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6])	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(C[6]C[6]HH)	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HS)(H)2	N[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5,6]HH)(O[5,5]C[5,5,6]){2|S<4>,3|C<4>,6|H<1>}	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]C[6]CH)(C[6]C[6]HH){1|O<2>,1|S<4>,2|C<4>,5|H<1>}	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HS)(H)2{1|S<4>,3|C<4>}	111.9410	0.000	1	111.9410	0.000	1	111.9410	0.000	1	111.9410	0.000	1	109.6933	3.795	3	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6,6]	C[5,6]	4:4:4:	4:3:3:1:	3:4:1:1:	C[5,6,6]-4:S[5,5]-4:C[5,6]-4:	C[5,6,6]-4:N[5,5,6]-3:C[6]-3:H-1:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	N[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H)	C[5,6](N[5,5,6]C[5,6,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6](C[5,6,6]C[5,6,6]C[6]H)(S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH){1|C<3>,1|N<3>,5|H<1>}	C[5,6,6](C[5,6,6]C[5,5,6]N[5a,6]H)(N[5,5,6]C[5,6]S[5,5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|O<1>,4|H<1>}	C[5,6](N[5,5,6]C[5,6,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<3>,1|C<4>,2|H<1>,2|O<1>}	108.5695	0.114	2	108.5695	0.013	2	108.5695	0.013	2	108.5695	0.013	2	109.6933	3.795	3	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,5,6]	4:4:2:	4:3:4:1:	4:3:4:1:	C[5,5,6]-4:C[5,6]-4:O[5]-2:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	C[5,6,6]-4:N[5,5,6]-3:C[5]-4:H-1:	N[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(O[5]C[5,6])	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H)	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H)	N[5,5,6](C[5,5,6]C[5,6,6]C[5]H)(C[5,6]C[5,6,6]C[5]H)(O[5]C[5,6]){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[5,6](C[5,6,6]C[5,6,6]C[6]O[5])(N[5,5,6]C[5,5,6]O[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,5|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]C[5,6]H)(N[5,5,6]C[5,6]O[5])(C[5]C[5]HH)(H){1|C<3>,2|C<4>,4|H<1>}	102.4855	0.541	2	102.4855	0.293	2	102.4855	0.293	2	102.4855	0.293	2	102.4855	0.293	2	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6,6]	4:4:2:	3:4:4:1:	3:4:4:4:	C[5,6,6]-4:C[5,6]-4:O[5,5]-2:	N[5,5,6]-3:C[5,6]-4:C[5]-4:H-1:	N[5,5,6]-3:C[5,6]-4:C[6]-4:C[6]-4:	N[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6])	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H)	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]O[6]HH)2	N[5,5,6](C[5,6,6]C[5,6]C[6]2)(C[5,6]C[5,6]C[5]H)(O[5,5]C[5,5,6]){10|H<1>,1|C<4>,3|O<2>}	C[5,6](N[5,5,6]C[5,6,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[5]C[5]O[5]H)(H){1|O<2>,2|H<1>,5|C<4>}	C[5,6,6](N[5,5,6]C[5,6]O[5,5])(C[5,6]C[5,5,6]HH)(C[6]O[6]HH)2{2|H<1>,3|C<4>}	112.0380	0.000	1	112.0380	0.000	1	112.0380	0.000	1	112.0380	0.000	1	112.0380	0.000	1	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	4:3:4:	3:4:3:4:	3:4:4:1:	C[5,6]-4:N[5,5]-3:C[5,6]-4:	N[5,5,6]-3:C[5,5]-4:C[6a]-3:C[6]-4:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,5,6](C[5,6]C[5,5]C[6a]C[6])(N[5,5]C[5,5]C[5])(C[5,6]C[5]C[6]H){1|C<4>,1|O<1>,4|C<3>,8|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5,5]C[5,5]C[5]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	115.1700	0.000	1	112.9678	13.383	10	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:3:	3:4:4:1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	N[5,5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,3|C<3>,7|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,3|C<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	115.3210	0.000	1	114.7045	0.760	2	114.7045	0.760	2	114.7045	0.760	2	112.9678	13.383	10	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:3:	3:4:4:1:	C[5,6]-4:C[5,6]-4:N[5,5]-3:	N[5,5,6]-3:C[6a]-3:C[6]-4:C[5]-3:	N[5,5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C)	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,5,6](C[5,6]C[6a]C[5]C[6])(C[5,6]C[5]C[6]H)(N[5,5]C[5]2){1|C<4>,1|O<1>,4|C<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[6a]C[6a]2)(C[6]C[6]HH)(C[5]C[5]C){2|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,5,6]C[5,6]N[5,5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	114.0880	0.000	1	114.7045	0.760	2	114.7045	0.760	2	114.7045	0.760	2	112.9678	13.383	10	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:1:1:	3:3:1:1:	C[5,5,6]-4:C[5,6]-4:C[5,6]-4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-3:H-1:H-1:	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]C)(H)2	N[5,5,6](C[5,5,6]C[5,5,6,6]C[6]H)(C[5,6]C[5,6]HH)2{3|C<3>,4|H<1>}	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]HH)(H)2{1|C<4>,2|C<3>,3|H<1>}	C[5,6](N[5,5,6]C[5,5,6]C[5,6])(C[5,6]C[5,5,6,6]C)(H)2{1|C<3>,2|C<4>,3|H<1>}	106.3850	0.000	1	106.3850	0.000	1	106.3850	0.000	1	106.3850	0.000	1	112.9678	13.383	10	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:1:1:	3:4:1:1:	S[5,5]-4:C[5,6]-4:C[5,6]-4:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	N[5,5,6]-3:C[5,6]-4:H-1:H-1:	N[5,5,6](S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)2	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2	N[5,5,6](S[5,5]C[5,5,6]OO)(C[5,6]C[5,6]HH)2{5|H<1>}	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	C[5,6](N[5,5,6]C[5,6]S[5,5])(C[5,6]C[5,5,6]HH)(H)2{1|C<4>,2|O<1>,3|H<1>}	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	106.4830	0.000	1	112.9678	13.383	10	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:2:1:	3:4:2:1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[5,6]-4:O[5]-2:H-1:	N[5,5,6]-3:C[5,6]-4:O[5]-2:H-1:	N[5,5,6](C[5,6]C[5,6]O[5]H)2(C[5,5]C[5]2C)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H)	N[5,5,6](C[5,6]C[5,6]O[5]H)2(C[5,5]C[5]2C){1|N<3>,2|O<2>,6|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,6]N[5,5,6]O[5]H)(O[5]C[5])(H){1|O<2>,3|H<1>,5|C<4>}	115.9140	0.000	1	115.9140	0.000	1	115.9140	0.000	1	115.1580	0.789	3	112.9678	13.383	10	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:2:1:	3:4:2:1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,5,6]-3:C[6]-4:O[5]-2:H-1:	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H)	N[5,5,6](C[5,6]C[6]O[5]H)2(C[5,5]C[5]2C){1|C<4>,1|N<3>,1|O<2>,6|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]N[5a]O[6]H)(O[5]C[5])(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]O[6]CH)(O[5]C[5])(H){1|O<2>,3|C<4>,3|H<1>}	114.7800	0.849	2	114.7800	0.720	2	114.7800	0.720	2	115.1580	0.789	3	112.9678	13.383	10	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:3:3:1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[6]-4:C[5,5]-4:H-1:	N[5,5,6]-3:C[6,6a]-3:N[5]-3:H-1:	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H)	N[5,5,6](C[5,6]C[6,6a]N[5]H)(C[5,6]C[5,5]C[6]H)(C[5,5]C[5]2H){4|H<1>,6|C<3>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6]C[6,6a]HH)(C[5,5]C[5]3)(H){1|N<3>,2|O<1>,3|H<1>,6|C<3>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[6,6a]C[6,6a]C[6a])(N[5]C[5]H)(H){3|C<3>,3|C<4>,3|H<1>}	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	111.4930	0.000	1	112.9678	13.383	10	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[5,5]-4:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	N[5,5,6]-3:C[5,5]-4:C[6]-4:H-1:	N[5,5,6](C[5,6]C[5,5]C[6]H)2(C[5,5]C[5,5]2C)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H)	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H)	N[5,5,6](C[5,6]C[5,5]C[6]H)2(C[5,5]C[5,5]2C){1|I<1>,2|C<4>,4|C<3>,6|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]CH)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[5,6](N[5,5,6]C[5,5]C[5,6])(C[5,5]C[5,5]C[5]H)(C[6]C[6]HI)(H){1|N<3>,1|O<1>,3|C<3>,3|C<4>,3|H<1>}	115.2640	0.000	1	115.2640	0.000	1	115.2640	0.000	1	115.2640	0.000	1	112.9678	13.383	10	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6,6]	C[5,5,6,6]	C[5,3x6]	4:4:4:	3:3:4:4:	3:4:4:1:	C[5,5,6,6]-4:C[5,3x6]-4:C[6]-4:	C[5,6,6]-3:N[5,6,6]-3:C[6,6]-4:C[5,5,6]-4:	N[5,6,6]-3:C[3x6]-4:C[5,6]-4:H-1:	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH)	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H)	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H)	N[5,6,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[6,6])(C[5,3x6]C[3x6]C[5,6]H)(C[6]C[6]CH){1|C<3>,5|C<4>,7|H<1>}	C[5,5,6,6](C[5,6,6]C[5,6,6]C[6])(N[5,6,6]C[5,3x6]C[6])(C[6,6]C[6,6]C[6]H)(C[5,5,6]C[5,6]2H){1|C<3>,1|O<2>,6|C<4>,9|H<1>}	C[5,3x6](N[5,6,6]C[5,5,6,6]C[6])(C[3x6]C[5,6,6]C[6]H)(C[5,6]C[5,5,6]HH)(H){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	101.9940	0.243	2	101.9940	0.059	2	101.9940	0.059	2	101.9940	0.059	2	101.9940	0.059	2	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,3x6]	C[5,6]	4:4:4:	4:4:3:4:	4:3:1:1:	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:	C[5,5,6]-4:N[5,6]-3: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[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	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[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>}	106.2690	0.000	1	106.2690	0.000	1	106.2690	0.000	1	106.2690	0.000	1	106.2690	0.000	1	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6,6]	C[5,6]	4:4:1:	4:4:3:4:	3:4:3:1:	C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]CH)	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]CH){1|C<3>,4|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	100.7920	0.000	1	100.7920	0.000	1	100.8715	0.013	2	100.8715	0.013	2	100.8715	0.013	2	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6,6]	C[5,6]	4:4:1:	4:4:3:4:	3:4:3:1:	C[5,5,6,6]-4:C[5,6]-4:H-1:	C[5,5,6]-4:C[5,6,6]-4:N[5,6]-3:C[5]-4:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(H)	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]HN)	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H)	N[5,6](C[5,5,6,6]C[5,5,6]C[5,6,6]C[5])(C[5,6]C[5]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,4|C<4>,4|H<1>}	C[5,5,6,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6,6]C[5,5,6]O[6]H)(N[5,6]C[5,6]H)(C[5]C[5]HN){1|C<3>,4|H<1>,5|C<4>}	C[5,6](N[5,6]C[5,5,6,6]H)(C[5]C[5]CH)(C[6]O[6]O)(H){1|H<1>,1|N<3>,2|C<4>}	100.9510	0.000	1	100.9510	0.000	1	100.8715	0.013	2	100.8715	0.013	2	100.8715	0.013	2	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,5,6]	4:4:4:	4:4:3:1:	4:4:3:1:	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:	C[5,5,6]-4:C[5,5,6]-4:N[5,6]-3: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[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)	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[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>}	101.2135	0.175	2	101.2135	0.031	2	101.2135	0.031	2	101.2135	0.031	2	101.2135	0.031	2	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:3:4:	4:3:3:4:	3:4:2:1:	C[5,5,6]-4:C[5,6a]-3:C[5,6]-4:	C[5,6,6]-4:N[5,6]-3:C[5]-3:C[5]-4:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H)	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[5]C[5]HH)	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H)	N[5,6](C[5,5,6]C[5,6,6]C[5]2)(C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6]O[5]H){1|N<3>,1|O<1>,2|C<3>,3|C<4>,6|H<1>}	C[5,5,6](C[5,6,6]C[5,6,6]N[5,6]H)(N[5,6]C[5,6a]C[5,6])(C[5]C[5,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>,4|C<4>}	C[5,6](N[5,6]C[5,5,6]C[5,6a])(C[5,6]C[5,6,6]HH)(O[5]C[5])(H){1|H<1>,3|C<3>,4|C<4>}	114.6510	0.515	2	114.6510	0.265	2	114.6510	0.265	2	114.6510	0.265	2	107.0934	11.082	15	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:1:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:H-1:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(H)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]H)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(H){1|N<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]H)(H){5|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]H)(H)2{1|C<4>,5|H<1>}	104.4630	0.433	2	104.4630	0.187	2	104.4630	0.187	2	104.4630	0.187	2	107.0934	11.082	15	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:3:	3:3:4:1:	4:3:3:1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	N[5,5]-3:N[5,6]-3:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-3:N-3:H-1:	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2)	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H)	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H)	N[5,6](C[5,5,6]C[5,6]N[5,5]H)(C[5,6]C[5,5,6]HN)(C[6a]C[6a]2){2|N<3>,3|C<3>,4|H<1>}	C[5,5,6](N[5,5]C[5,5,6]C[6a])(N[5,6]C[5,6]C[6a])(C[5,6]N[5,6]HN)(H){1|N<3>,2|H<1>,5|C<3>}	C[5,6](C[5,5,6]N[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(NC[6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	106.4433	0.683	4	106.4433	0.467	4	106.4433	0.467	4	106.4433	0.467	4	107.0934	11.082	15	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:3:	3:4:4:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:C[6a]-3:	N[5,6]-3:C[5,5]-4:C[5,6]-4:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(C[6a]C[6a]2)	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(C[6a]C[6a]2){1|F<1>,1|N<3>,2|C<3>,6|H<1>}	C[5,5,6](N[5,6]C[5,6]C[6a])(C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(H){1|S<4>,2|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]C[6a])(H)2{1|C<4>,1|S<4>,2|C<3>,3|H<1>}	106.1610	0.000	1	106.1610	0.000	1	106.1610	0.000	1	106.1610	0.000	1	107.0934	11.082	15	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:3:	3:4:4:4:	3:4:4:1:	C[5,5,6]-4:C[5,6]-4:C-3:	N[5,6]-3:C[5,5]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(CC[6a]O)	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO)	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,5,6]C[5,5]C[5]C[6])(C[5,6]C[5]C[6]H)(CC[6a]O){1|N<3>,1|O<2>,3|C<4>,7|H<1>}	C[5,5,6](N[5,6]C[5,6]C)(C[5,5]C[5]2H)(C[5]N[5]HH)(C[6]C[6]CO){1|C<3>,1|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,5,6]C)(C[5]C[5,5]HH)(C[6]C[6]HH)(H){3|C<4>,3|H<1>}	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	105.1050	0.000	1	107.0934	11.082	15	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:4:	4:3:3:1:	4:3:3:1:	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:	C[5,5,6]-4:N[5,6]-3:C-3: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[5,6](C[5,5,6]C[5,5]C[5,6]H)(N[5,6]C[5,5,6]C)(COO)(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[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>}	104.1490	0.563	2	104.1490	0.317	2	104.1490	0.317	2	104.1490	0.317	2	107.0934	11.082	15	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:S-4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(SC[6a]OO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]S)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO){1|N<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]N[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]N[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	107.2480	0.000	1	107.2480	0.000	1	107.6120	0.123	3	107.6120	0.123	3	107.0934	11.082	15	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:S-4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(SC[6a]OO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO){1|P<3>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,3|H<1>}	107.9490	0.000	1	107.7940	0.048	2	107.6120	0.123	3	107.6120	0.123	3	107.0934	11.082	15	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,5,6]	C[5,6]	4:4:4:	4:4:3:1:	4:3:1:1:	C[5,5,6]-4:C[5,6]-4:S-4:	C[5,5]-4:C[5,6]-4:N[5,6]-3:H-1:	C[5,5,6]-4:N[5,6]-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]HH)(SC[6a]OO)	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H)	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]HH)(SC[6a]OO){1|P<4>,5|H<1>}	C[5,5,6](C[5,5]C[5,5,6]HH)(C[5,6]P[5,6]HH)(N[5,6]C[5,6]S)(H){1|C<3>,1|O<1>,3|H<1>}	C[5,6](C[5,5,6]C[5,5]P[5,6]H)(N[5,6]C[5,5,6]S)(H)2{1|C<3>,1|C<4>,1|O<1>,3|H<1>}	107.6390	0.000	1	107.7940	0.048	2	107.6120	0.123	3	107.6120	0.123	3	107.0934	11.082	15	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5,6,6]	4:4:4:	3:4:4:2:	3:2:4:4:	C[5,6,6]-4:C[5,6,6]-4:C[5]-4:	N[5,6]-3:C[6,6]-4:C[5,6]-4:O[5]-2:	N[5,6]-3:O[5,6]-2:C[6]-4:C[6]-4:	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH)	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5])	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2	N[5,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]O[5,6]C[6]2)(C[5]C[5,6]HH){1|O<2>,6|H<1>,7|C<4>}	C[5,6,6](N[5,6]C[5,6,6]C[5])(C[6,6]C[5,6]C[6]C)(C[5,6]C[5,6,6]HO)(O[5]C[5]){1|O<2>,6|H<1>,7|C<4>}	C[5,6,6](N[5,6]C[5,6,6]C[5])(O[5,6]C[5,6])(C[6]C[6]HH)2{1|O<2>,4|C<4>,6|H<1>}	122.1570	1.461	2	122.1570	2.134	2	122.1570	2.134	2	122.1570	2.134	2	122.1570	2.134	2	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5,6]	4:4:4:	4:3:4:1:	3:3:4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<2>,1|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.3190	0.000	1	112.2180	0.020	2	112.3652	0.651	5	112.3652	0.651	5	112.3652	0.651	5	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5,6]	4:4:4:	4:3:4:1:	3:3:4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6]2C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.1170	0.000	1	112.2180	0.020	2	112.3652	0.651	5	112.3652	0.651	5	112.3652	0.651	5	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6,6]	C[5,6]	4:4:4:	4:3:4:1:	3:3:4:1:	C[5,6,6]-4:C[5,6]-4:C[5]-4:	C[5,5,6]-4:N[5,6]-3:C[6,6]-4:H-1:	C[5,6a]-3:N[5,6]-3:C[5,6]-4:H-1:	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH)	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H)	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H)	N[5,6](C[5,6,6]C[5,5,6]C[6,6]H)(C[5,6]C[5,6a]C[5,6]H)(C[5]C[5]HH){1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6,6](C[5,5,6]C[5,6a]C[5,6]C[5])(N[5,6]C[5,6]C[5])(C[6,6]C[6]2C)(H){1|C<4>,1|N<3>,1|O<2>,4|C<3>,8|H<1>}	C[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6,6]C[5])(C[5,6]C[6]O[5]H)(H){1|O<2>,2|C<3>,3|C<4>,5|H<1>}	112.4633	1.121	3	112.4633	1.256	3	112.3652	0.651	5	112.3652	0.651	5	112.3652	0.651	5	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:3:2:	3:4:4:4:	C[5,6]-4:C[5,6]-4:H-1:	C[6]-4:N[5,6]-3:C[6a]-3:O[5]-2:	N[5,6]-3:C[5]-4:C[6]-4:C-4:	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[5]C[6]C)(H)	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5])	C[5,6](N[5,6]C[5,6]H)(C[5]O[5]HH)(C[6]O[6]HH)(CHHO)	N[5,6](C[5,6]C[6a]C[6]O[5])(C[5,6]C[5]C[6]C)(H){2|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6]C[6a]O[6]O)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(O[5]C[5]){2|C<4>,4|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]H)(C[5]O[5]HH)(C[6]O[6]HH)(CHHO){1|C<3>,1|C<4>}	101.3210	0.000	1	101.3210	0.000	1	101.3210	0.000	1	101.3210	0.000	1	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:1:	4:3:3:3:	3:4:2:4:	C[5,6]-4:C[5,6]-4:H-1:	C[6,6]-4:N[5,6]-3:C[6a]-3:C[5]-3:	N[5,6]-3:C[6]-4:O[5]-2:C-4:	N[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6]O[5]C)(H)	C[5,6](C[6,6]C[6]O[6]2)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O)	C[5,6](N[5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CF3)	N[5,6](C[5,6]C[6,6]C[6a]C[5])(C[5,6]C[6]O[5]C)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|O<2>}	C[5,6](C[6,6]C[6]O[6]2)(N[5,6]C[5,6]H)(C[6a]C[6a]2)(C[5]O[5]O){2|C<3>,4|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]H)(C[6]C[6]HH)(O[5]C[5])(CF3){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	102.2670	0.000	1	102.2670	0.000	1	102.2670	0.000	1	102.2670	0.000	1	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:2:	3:3:4:1:	4:3:4:1:	C[5,6]-4:C[5,6]-4:O-2:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	C[6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(OC)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H)	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(OC){1|O<2>,3|C<3>,4|H<1>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]O)(C[5]C[5]CH)(H){1|C<4>,2|C<3>,4|H<1>}	C[5,6](C[6]C[6,6a]HO)(N[5,6]C[5,6]O)(C[5]C[5]HH)(H){2|H<1>,3|C<3>}	101.0170	0.000	1	101.0170	0.000	1	101.0170	0.000	1	101.0170	0.000	1	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:2:	3:4:4:1:	3:4:2:1:	C[5,6]-4:C[5,6]-4:O[5]-2:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6]-3:C[5,6]-4:O[5]-2:H-1:	N[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5])	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H)	N[5,6](C[5,6]C[5,6]O[5]H)(C[5,6]C[5]C[6]H)(O[5]C[5]){1|C<3>,2|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(C[5,6]C[5,6]HH)(O[5]C[5])(H){3|C<4>,4|H<1>}	114.0440	0.000	1	114.0440	0.000	1	114.0440	0.000	1	114.0440	0.000	1	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:2:	3:4:4:4:	3:4:4:1:	C[5,6]-4:C[5,6]-4:O[5]-2:	N[5,6]-3:C[5]-4:C[5]-4:C[6]-4:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(O[5]C[5])	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH)	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]2C[6])(C[5,6]C[5]C[6]H)(O[5]C[5]){10|H<1>,1|C<3>,4|C<4>}	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]CH)(C[5]C[5]HH)(C[6]C[6]HH){3|C<4>,7|H<1>}	C[5,6](N[5,6]C[5,6]O[5])(C[5]C[5]HH)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	116.7115	0.885	2	116.7115	0.783	2	116.7115	0.783	2	116.7115	0.783	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[6a]-3:	N[5,6]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2)	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H)	N[5,6](C[5,6]N[5,6]C[5]H)(C[5,6]C[5]C[6]H)(C[6a]C[6a]2){1|C<4>,1|N<3>,3|C<3>,6|H<1>}	C[5,6](N[5,6]C[5,6]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6]C[6a])(C[6]C[5,6]N)(C[5]C[5]HH)(H){2|C<3>,2|N<3>,3|H<1>}	101.8050	0.000	1	101.8050	0.000	1	101.8050	0.000	1	101.8050	0.000	1	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:3:4:	C[5,6]-4:C[5,6]-4:N-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-3:Si-4:	N[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(NHS)	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]HH)(C[5]C[5]C)(SiC3)	N[5,6](C[5,6]C[5]C[6]Si)(C[5,6]C[5]C[6]H)(NHS){1|C<3>,1|C<4>,6|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[5]C[5]HH)(C[6]C[6]HH)(H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[5,6](N[5,6]C[5,6]N)(C[6]C[6]HH)(C[5]C[5]C)(SiC3){1|C<4>,5|H<1>}	103.4875	0.855	6	103.4875	0.731	6	103.4875	0.731	6	103.4875	0.731	6	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	3:4:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5]C[6]H)2(COO)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	N[5,6](C[5,6]C[5]C[6]H)2(COO){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[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>}	104.4460	0.000	1	104.4460	0.000	1	104.4460	0.000	1	104.4460	0.000	1	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:4:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5]O[5]O)	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5,6]C[5]H)(C[5]O[5]O){4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]C[6,6a]H)(N[5,6]C[5,6]C[5])(C[5]C[5,6a]HH)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]O[5]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	122.0240	0.000	2	122.0240	0.000	2	122.0240	0.000	2	122.0240	0.000	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,5]-4:N[5,6]-3:C[6]-4:H-1:	N[5,6]-3:C[5]-4:C[6]-4:H-1:	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(CHO)	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H)	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H)	N[5,6](C[5,6]C[5,5]C[6]H)(C[5,6]C[5]C[6]H)(CHO){2|C<3>,2|C<4>,5|H<1>}	C[5,6](C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C)(C[6]C[6]HH)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[5]C[5,5]HH)(C[6]C[6]CH)(H){2|C<3>,2|C<4>,2|H<1>}	105.1640	0.000	1	105.1640	0.000	1	105.1640	0.000	1	104.3605	1.291	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:3:	4:3:4:1:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(COO)	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H)	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6]C[5]H)(C[5,6]C[5]C[6]H)(COO){1|C<3>,1|C<4>,7|H<1>}	C[5,6](C[5,6]C[5,6]C[5]H)(N[5,6]C[5,6]C)(C[5]C[5]HH)(H){1|Br<1>,1|C<4>,1|N<2>,1|O<2>,4|H<1>}	C[5,6](N[5,6]C[5,6]C)(C[6]C[5,6]HH)(C[5]C[5]HH)(H){1|C<4>,1|O<2>,4|H<1>}	103.5570	0.000	1	103.5570	0.000	1	103.5570	0.000	1	104.3605	1.291	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:4:1:	3:3:4:1:	C[5,6]-4:C[5,6]-4:S-4:	C[6,6a]-3:N[5,6]-3:C[5]-4:H-1:	N[5,6]-3:C[6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(SC[6a]OO)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H)	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[6,6a]C[5]H)(C[5,6]C[5]C[6]H)(SC[6a]OO){2|H<1>,5|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]S)(C[5]C[5]CC)(H){3|C<3>,4|H<1>}	C[5,6](N[5,6]C[5,6]S)(C[6]C[6,6a]C)(C[5]C[5]HH)(H){1|H<1>,4|C<3>}	104.0060	0.000	1	104.0060	0.000	1	104.0060	0.000	1	104.0060	0.000	1	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|C<4>,1|O<2>,2|O<1>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	121.8420	0.000	1	123.9900	2.254	4	123.9900	2.254	4	123.9900	2.254	4	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:3:4:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:N[5,6]-3:C[5,5]-4:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5,5]C[5]3)(H){1|C<2>,1|N<2>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|C<3>,4|H<1>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	124.7060	0.553	3	123.9900	2.254	4	123.9900	2.254	4	123.9900	2.254	4	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:3:1:	3:4:3:1:	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[6]-4:C[5]-3:H-1:	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[5,6](N[5,6]C[5,6]C)(C[6]O[6]HH)(C[5]C[5]H)(H)	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[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>}	99.2235	0.000	1	99.2235	0.000	1	99.2235	0.000	1	105.9218	89.733	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:3:1:	3:4:3:1:	C[5,6]-4:C[5,6]-4:C[5,6]-4:	C[5,6a]-3:C[5,6]-4:N[5,6]-3:H-1:	N[5,6]-3:C[5]-4:C[6]-3:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H)	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H)	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]H)(C[5,6]C[6,6a]C[5,6]H)(C[5,6]C[5]C[6]H){1|O<1>,1|O<2>,3|C<4>,3|H<1>,4|C<3>}	C[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5]O[6]H)(N[5,6]C[5,6]2)(H){2|C<4>,4|C<3>,5|H<1>}	C[5,6](N[5,6]C[5,6]2)(C[5]C[5,6]CH)(C[6]O[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	112.6200	0.000	1	112.6200	0.000	1	112.6200	0.000	1	105.9218	89.733	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:3:1:	3:4:3:4:	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:C[5]-4:C[6]-3:C-4:	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[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CCHH)	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[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>}	103.1570	0.000	1	103.1570	0.000	1	102.8965	0.136	2	102.8965	0.136	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:3:1:	3:4:3:4:	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:C[5]-4:C[6]-3:C-4:	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[5,6](N[5,6]C[5,6]C)(C[5]C[5]CH)(C[6]N[6]C)(CH3)	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[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>}	102.6360	0.000	1	102.6360	0.000	1	102.8965	0.136	2	102.8965	0.136	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:3:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){1|C<2>,2|C<4>,2|H<1>,3|C<3>}	115.2220	0.000	1	115.3830	0.052	2	115.3830	0.052	2	115.3830	0.052	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:3:1:	4:3:2:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[6,6a]-3:C[5,5]-4:N[5,6]-3:H-1:	C[5,6]-4:N[5,6]-3:O[5]-2:H-1:	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH)	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H)	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H)	N[5,6](C[5,6]C[6,6a]C[5,5]H)(C[5,6]C[5,6]O[5]H)(C[5]C[5]CH){1|N<2>,2|H<1>,6|C<3>}	C[5,6](C[6,6a]C[6,6a]C[6a])(C[5,5]C[5,6a]C[5]2)(N[5,6]C[5,6]C[5])(H){1|C<4>,1|N<3>,1|O<1>,1|O<2>,4|H<1>,6|C<3>}	C[5,6](C[5,6]C[6,6a]C[5]H)(N[5,6]C[5,6]C[5])(O[5]N[5])(H){2|C<4>,2|H<1>,4|C<3>}	115.5440	0.000	1	115.3830	0.052	2	115.3830	0.052	2	115.3830	0.052	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	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[5]-4:C[6]-4: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[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	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[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>}	102.8950	0.000	1	102.8950	0.000	1	101.4141	0.615	15	101.4141	0.615	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	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[5]-4:C[6]-4: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[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	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[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>}	101.4723	0.205	4	101.4723	0.042	4	101.4141	0.615	15	101.4141	0.615	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	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[5]-4:C[6]-4: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[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]CH)(H)	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[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>}	100.8510	0.000	1	100.8510	0.000	1	101.4141	0.615	15	101.4141	0.615	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	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[5]-4:C[6]-4: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[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	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[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>}	100.9600	0.000	1	101.2007	0.091	3	101.4141	0.615	15	101.4141	0.615	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	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[5]-4:C[6]-4: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[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	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[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>}	101.3210	0.307	2	101.2007	0.091	3	101.4141	0.615	15	101.4141	0.615	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	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[5]-4:C[6]-4: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[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	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[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>}	102.5120	0.000	1	101.0735	1.042	4	101.4141	0.615	15	101.4141	0.615	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	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[5]-4:C[6]-4: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[5,6](N[5,6]C[5,6]C)(C[5]C[5]HH)(C[6]C[6]HH)(H)	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[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>}	100.5940	0.428	3	101.0735	1.042	4	101.4141	0.615	15	101.4141	0.615	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	3:4:4:1:	3:4:4:1:	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[5]-4:C[6]-4: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[5,6](N[5,6]C[5,6]C)(C[5]C[5]HO)(C[6]C[6]HH)(H)	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[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>}	101.8405	1.300	2	101.8405	1.691	2	101.4141	0.615	15	101.4141	0.615	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	4:3:2:1:	3:3:4:1:	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:C[6]-3:C[5]-4: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[5,6](N[5,6]C[5,6]C)(C[6]N[5,6]O)(C[5]S[5]HH)(H)	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[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>}	104.3895	0.097	2	104.3895	0.009	2	104.3895	0.009	2	104.3895	0.009	2	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	4:3:3:1:	3:4:3:1:	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[6]-4:C[5]-3: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[5,6](N[5,6]C[5,6]C)(C[6]C[6]HH)(C[5]C[5]H)(H)	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[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>}	100.8369	1.077	3	100.8369	1.160	3	100.8369	1.160	3	100.8369	1.160	3	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	4:3:3:1:	4:3:3:1:	C[5,6]-4:C[5,6]-4:S-4:	C[6,6]-4:N[5,6]-3:C[5]-3:H-1:	C[6,6]-4:N[5,6]-3:C[5]-3:H-1:	N[5,6](C[5,6]C[6,6]C[5]H)2(SC[6a]OO)	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H)	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H)	N[5,6](C[5,6]C[6,6]C[5]H)2(SC[6a]OO){1|C<3>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	C[5,6](C[6,6]C[6,6]C[6]H)(N[5,6]C[5,6]S)(C[5]C[5]H)(H){1|O<1>,2|C<4>,4|H<1>}	102.5810	0.000	1	102.5810	0.000	1	102.5810	0.000	1	102.5810	0.000	1	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|N<3>,1|O<1>,5|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]C[5,6a]O){1|O<1>,4|C<4>,4|H<1>,6|C<3>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	116.2100	0.173	4	116.2100	0.030	4	115.4620	0.525	15	115.4620	0.525	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|C<4>,5|H<1>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	114.9543	0.756	6	115.1900	0.421	11	115.4620	0.525	15	115.4620	0.525	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	4:3:3:3:	4:3:4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,6]-4:C[5,6a]-3:N[5,6]-3:C[5]-3:	C[5,6]-4:N[5,6]-3:C[5]-4:H-1:	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH)	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O)	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H)	N[5,6](C[5,6]C[5,6a]C[5,6]C[5])(C[5,6]C[5,6]C[5]H)(C[5]C[5]HH){1|C<4>,1|O<1>,2|N<3>,4|C<3>,5|H<1>}	C[5,6](C[5,6]C[5,6a]N[5,6]C[5])(C[5,6a]C[5,6a]C[6a])(N[5,6]C[5,6]C[5])(C[5]N[5]O){1|N<3>,1|O<1>,4|C<3>,4|H<1>,5|C<4>}	C[5,6](C[5,6]N[5,6]C[5]H)(N[5,6]C[5,6]C[5])(C[5]C[5]HH)(H){2|C<3>,3|C<4>,6|H<1>}	115.4728	0.392	5	115.1900	0.421	11	115.4620	0.525	15	115.4620	0.525	15	108.5444	61.309	66	108.6250	45.690	119
542	474	474	6:SP3_SP3_SP3	N[5,6]	C[5,6]	C[5,6]	4:4:4:	4:3:4:3:	3:4:4:1:	C[5,6]-4:C[5,6]-4:C[5]-4:	C[5,5]-4:N[5,6]-3:C[6]-4:C-3:	N[5,6]-3:C[5,6]-4:C[5]-4:H-1:	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]C[6a]H)	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO)	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H)	N[5,6](C[5,6]C[5,5]C[6]C)(C[5,6]C[5,6]C[5]H)(C[5]C[5,5]C[6a]H){1|C<4>,2|O<2>,4|C<3>,7|H<1>}	C[5,6](C[5,5]C[5,5]C[5]H)(N[5,6]C[5,6]C[5])(C[6]C[5,6]HH)(COO){1|N<3>,1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[5,6](N[5,6]C[5,6]C[5])(C[5,6]C[5,6]HH)(C[5]O[5]HO)(H){2|C<3>,2|H<1>,3|C<4>}	116.5300	0.000	1	116.5300	0.000	1	116.5300	0.000	1	116.5300	0.000	1	108.5444	61.309	66	108.6250	45.690	119