486	951	968	0:SP3_SP-NON_SP-NON	C[3,5]	H	H[3]	5:2:3:1:	4:	5:4:	C[3,5]-5:H[3]-2:C[5]-3:H-1:	C[3,5]-4:	C[3,5]-5:C[3,5]-4:	C[3,5](C[3,5]C[5]H[3]HH)(H[3]C[3,5])(C[5]N[5]H)(H)	H(C[3,5]C[3,5]C[5]H[3])	H[3](C[3,5]C[3,5]C[5]HH)(C[3,5]C[3,5]C[5]H)	C[3,5](C[3,5]C[5]H[3]HH)(H[3]C[3,5])(C[5]N[5]H)(H){1|H<1>,1|P<4>}	H(C[3,5]C[3,5]C[5]H[3])	H[3](C[3,5]C[3,5]C[5]HH)(C[3,5]C[3,5]C[5]H)	87.7537	0.000	1	87.7537	0.000	1	87.7537	0.000	1	87.7537	0.000	1	87.7537	0.000	1	107.7757	179.395	7
486	951	968	0:SP3_SP-NON_SP-NON	C[3]	H	H[3]	3:2:3:1:	4:	4:3:	O[3]-3:H[3]-2:C-3:H-1:	C[3]-4:	C[3]-4:O[3]-3:	C[3](O[3]H[3]C)(H[3]O[3])(CHO)(H)	H(C[3]H[3]O[3]C)	H[3](C[3]O[3]CH)(O[3]C[3]C)	C[3](O[3]H[3]C)(H[3]O[3])(CHO)(H)	H(C[3]H[3]O[3]C)	H[3](C[3]O[3]CH)(O[3]C[3]C)	125.1590	0.000	1	125.1590	0.000	1	125.1590	0.000	1	125.1590	0.000	1	111.1128	121.735	6	107.7757	179.395	7
486	951	968	0:SP3_SP-NON_SP-NON	C[3]	H	H[3]	4:2:1:1:	4:	4:4:	C[3,6]-4:H[3]-2:H-1:H-1:	C[3]-4:	C[3,6]-4:C[3]-4:	C[3](C[3,6]C[6]H[3]N[6])(H[3]C[3,6])(H)2	H(C[3]C[3,6]H[3]H)	H[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)	C[3](C[3,6]C[6]H[3]N[6])(H[3]C[3,6])(H)2{1|H<1>,2|C<3>}	H(C[3]C[3,6]H[3]H)	H[3](C[3,6]C[3]C[6]N[6])(C[3]C[3,6]HH)	109.4550	0.021	2	109.4550	0.000	2	109.4550	0.000	2	109.4550	0.000	2	111.1128	121.735	6	107.7757	179.395	7
486	951	968	0:SP3_SP-NON_SP-NON	C[3]	H	H[3]	4:2:4:1:	4:	4:4:	Se[3]-4:H[3]-2:C-4:H-1:	C[3]-4:	Se[3]-4:C[3]-4:	C[3](Se[3]C[6a]H[3]Pd)(H[3]Se[3])(CHHN)(H)	H(C[3]Se[3]H[3]C)	H[3](Se[3]C[6a]C[3]Pd)(C[3]Se[3]CH)	C[3](Se[3]C[6a]H[3]Pd)(H[3]Se[3])(CHHN)(H){2|C<3>}	H(C[3]Se[3]H[3]C)	H[3](Se[3]C[6a]C[3]Pd)(C[3]Se[3]CH)	120.0330	0.000	1	120.0330	0.000	1	120.0330	0.000	1	120.0330	0.000	1	111.1128	121.735	6	107.7757	179.395	7
486	951	968	0:SP3_SP-NON_SP-NON	C[3]	H	H[3]	5:2:1:1:	4:	5:4:	C[3]-5:H[3]-2:H-1:H-1:	C[3]-4:	C[3]-5:C[3]-4:	C[3](C[3]C[6]H[3]CH)(H[3]C[3])(H)2	H(C[3]C[3]H[3]H)	H[3](C[3]C[3]C[6]CH)(C[3]C[3]HH)	C[3](C[3]C[6]H[3]CH)(H[3]C[3])(H)2{1|Ru<10>,2|C<4>}	H(C[3]C[3]H[3]H)	H[3](C[3]C[3]C[6]CH)(C[3]C[3]HH)	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	109.4490	0.000	1	111.1128	121.735	6	107.7757	179.395	7
486	951	968	0:SP3_SP-NON_SP-NON	C[3]	H	H[3]	7:2:4:1:	4:	7:4:	Nb[3,5,5]-7:H[3]-2:Si-4:H-1:	C[3]-4:	Nb[3,5,5]-7:C[3]-4:	C[3](Nb[3,5,5]C[5,6a]2H[3]N[5]2N)(H[3]Nb[3,5,5])(SiC3)(H)	H(C[3]Nb[3,5,5]H[3]Si)	H[3](Nb[3,5,5]C[5,6a]2C[3]N[5]2N)(C[3]Nb[3,5,5]SiH)	C[3](Nb[3,5,5]C[5,6a]2H[3]N[5]2N)(H[3]Nb[3,5,5])(SiC3)(H){8|C<3>}	H(C[3]Nb[3,5,5]H[3]Si)	H[3](Nb[3,5,5]C[5,6a]2C[3]N[5]2N)(C[3]Nb[3,5,5]SiH)	93.1255	0.000	1	93.1255	0.000	1	93.1255	0.000	1	93.1255	0.000	1	111.1128	121.735	6	107.7757	179.395	7
486	951	976	0:SP3_SP-NON_SP2	C[3,5]	H	O[5]	4:2:2:1:	4:	4:3:	C[3,5]-4:O[3]-2:O[5]-2:H-1:	C[3,5]-4:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H)	H(C[3,5]C[3,5]O[3]O[5])	O[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O)	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H){1|O<1>,2|C<4>}	H(C[3,5]C[3,5]O[3]O[5])	O[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O){1|H<1>,2|C<4>}	119.5870	0.059	2	119.5870	0.004	2	119.5870	0.004	2	119.5870	0.004	2	116.8527	8.677	6	116.8527	8.677	6
486	951	976	0:SP3_SP-NON_SP2	C[3,5]	H	O[5]	4:4:2:1:	4:	3:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:	C[5,6a]-3:C[3,5]-4:	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H)	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H)	C[3,5](C[3,5]C[5,6a]C[3]H)(C[3]C[3,5]C[6a]C)(O[5]C[5,6a])(H){4|C<3>}	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[5,6a]C[5,6a]C[6a])(C[3,5]C[3,5]C[3]H){2|H<1>,4|C<3>}	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	116.8527	8.677	6	116.8527	8.677	6
486	951	976	0:SP3_SP-NON_SP2	C[3,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3,5,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,5]-4:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5,6]C[3,6]C[5,6]C)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H)	H(C[3,5]C[3,5,6]C[3,6]O[5])	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O)	C[3,5](C[3,5,6]C[3,6]C[5,6]C)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[3,5]C[3,5,6]C[3,6]O[5])	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O){1|C<3>,2|C<4>,2|H<1>}	116.8610	0.000	1	116.8610	0.000	1	115.2180	5.399	2	114.4753	4.354	3	116.8527	8.677	6	116.8527	8.677	6
486	951	976	0:SP3_SP-NON_SP2	C[3,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3,5,6]-4:C[3,6]-4:O[5]-2:H-1:	C[3,5]-4:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H)	H(C[3,5]C[3,5,6]C[3,6]O[5])	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O)	C[3,5](C[3,5,6]C[3,6]C[5,6]H)(C[3,6]C[3,5,6]C[6]H)(O[5]C[5])(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[3,5]C[3,5,6]C[3,6]O[5])	O[5](C[3,5]C[3,5,6]C[3,6]H)(C[5]C[5,6]O){1|C<3>,1|C<4>,3|H<1>}	113.5750	0.000	1	113.5750	0.000	1	115.2180	5.399	2	114.4753	4.354	3	116.8527	8.677	6	116.8527	8.677	6
486	951	976	0:SP3_SP-NON_SP2	C[3,5]	H	O[5]	4:4:2:1:	4:	4:3:	C[3]-4:C[3,5]-4:O[5]-2:H-1:	C[3,5]-4:	C[3,5]-4:C[5]-3:	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H)	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H){2|C<3>,2|H<1>}	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]H){2|C<3>,2|H<1>}	112.9900	0.000	1	112.9900	0.000	1	112.9900	0.000	1	114.4753	4.354	3	116.8527	8.677	6	116.8527	8.677	6
486	951	976	0:SP3_SP-NON_SP3	C[3,5,5]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[3,5,5]-4:C[3,5,5]-4:O[5,5]-2:H-1:	C[3,5,5]-4:	C[3,5,5]-4:C[3x5]-4:	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(O[5,5]C[3x5])(H)	H(C[3,5,5]C[3,5,5]2O[5,5])	O[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5]H)2(O[5,5]C[3x5])(H){1|C<3>,4|H<1>}	H(C[3,5,5]C[3,5,5]2O[5,5])	O[5,5](C[3,5,5]C[3,5,5]2H)(C[3x5]C[5,5]2H){1|C<3>,5|H<1>}	121.2690	0.000	1	121.2690	0.000	1	121.2690	0.000	1	121.2310	0.002	3	121.2310	0.002	3	118.8951	5.628	10
486	951	976	0:SP3_SP-NON_SP3	C[3,5,5]	H	O[5,5]	4:4:2:1:	4:	4:4:	C[3,5,5]-4:C[3,5,5]-4:O[5,5]-2:H-1:	C[3,5,5]-4:	C[3x5,6]-4:C[3,5,5]-4:	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(O[5,5]C[3x5,6])(H)	H(C[3,5,5]C[3,5,5]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]C[5,5]O[6])(C[3,5,5]C[3,5,5]2H)	C[3,5,5](C[3,5,5]C[3,5,5]C[5,5,6]C[6a])(C[3,5,5]C[3,5,5]C[5,5]H)(O[5,5]C[3x5,6])(H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	H(C[3,5,5]C[3,5,5]2O[5,5])	O[5,5](C[3x5,6]C[5,5,6]C[5,5]O[6])(C[3,5,5]C[3,5,5]2H){2|C<4>,2|H<1>,3|C<3>}	121.2120	0.034	2	121.2120	0.001	2	121.2120	0.001	2	121.2310	0.002	3	121.2310	0.002	3	118.8951	5.628	10
486	951	976	0:SP3_SP-NON_SP3	C[3,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:	C[3,5]-4:C[5,5]-4:	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(O[5]C[5,5])(H)	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]O[5]H)	C[3,5](C[3,5]C[5,5]C[3]H)(C[3]C[3,5]HH)(O[5]C[5,5])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5,5]C[5,5]O[5]H){1|C<3>,1|C<4>,4|H<1>}	118.6970	0.000	1	118.6970	0.000	1	118.6970	0.000	1	117.8940	4.544	7	117.8940	4.544	7	118.8951	5.628	10
486	951	976	0:SP3_SP-NON_SP3	C[3,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H)	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H){1|C<4>,1|H<1>,1|O<1>}	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH){1|C<3>,1|O<1>,2|H<1>}	113.3460	0.000	1	115.5920	10.089	2	117.7206	6.617	5	117.8940	4.544	7	117.8940	4.544	7	118.8951	5.628	10
486	951	976	0:SP3_SP-NON_SP3	C[3,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H)	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH)	C[3,5](C[3,5]C[3]C[5]H)(C[3]C[3,5]CH)(O[5]C[5])(H){2|C<3>,2|H<1>}	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]CH){2|C<3>,3|H<1>}	117.8380	0.000	1	115.5920	10.089	2	117.7206	6.617	5	117.8940	4.544	7	117.8940	4.544	7	118.8951	5.628	10
486	951	976	0:SP3_SP-NON_SP3	C[3,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H)	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H){1|C<4>,1|O<2>,2|H<1>}	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO){1|C<4>,1|S<4>,3|H<1>}	118.9095	0.978	2	119.1397	0.637	3	117.7206	6.617	5	117.8940	4.544	7	117.8940	4.544	7	118.8951	5.628	10
486	951	976	0:SP3_SP-NON_SP3	C[3,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3,5]-4:C[3]-4:O[5]-2:H-1:	C[3,5]-4:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H)	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO)	C[3,5](C[3,5]C[3]C[5]S)(C[3]C[3,5]HH)(O[5]C[5])(H){1|N<3>,1|O<2>,2|H<1>}	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HO){1|N<3>,1|S<4>,3|H<1>}	119.6000	0.000	1	119.1397	0.637	3	117.7206	6.617	5	117.8940	4.544	7	117.8940	4.544	7	118.8951	5.628	10
486	951	976	0:SP3_SP-NON_SP3	C[3,5]	H	O[5]	4:4:2:1:	4:	4:4:	C[3]-4:C[3,5]-4:O[5]-2:H-1:	C[3,5]-4:	C[3,5]-4:C[5]-4:	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H)	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH)	C[3,5](C[3]C[3,5]C[6a]C)(C[3,5]C[3]C[5]H)(O[5]C[5])(H){2|C<3>,4|H<1>}	H(C[3,5]C[3,5]C[3]O[5])	O[5](C[3,5]C[3,5]C[3]H)(C[5]C[5]HH){2|C<3>,3|H<1>}	117.9580	0.000	1	117.9580	0.000	1	117.9580	0.000	1	117.8940	4.544	7	117.8940	4.544	7	118.8951	5.628	10
486	951	979	0:SP3_SP-NON_SP2	C[3]	H	Si	4:4:3:1:	4:	3:3:4:	C[3]-4:C[3]-4:Si-3:H-1:	C[3]-4:	C[6a]-3:C[6a]-3:C[3]-4:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SiC[6a]2)(H)	H(C[3]C[3]2Si)	Si(C[6a]C[6a]2)2(C[3]C[3]2H)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(SiC[6a]2)(H){2|C<3>}	H(C[3]C[3]2Si)	Si(C[6a]C[6a]2)2(C[3]C[3]2H)	114.4390	0.000	1	114.4390	0.000	1	114.4390	0.000	1	114.4390	0.000	1	114.4390	0.000	1	114.4390	0.000	1
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	3:3:2:1:	4:	4:1:	C[3]-3:C[3]-3:C-2:H-1:	C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3])(C[3]C[3]Fe)(CN)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(N)	C[3](C[3]C[6a]C[3])(C[3]C[3]Fe)(CN)(H){2|C<3>}	H(C[3]C[3]2C)	C(C[3]C[3]2H)(N)	117.1570	0.000	1	117.1570	0.000	1	117.1570	0.000	1	117.1570	0.000	1	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:3:2:1:	4:	4:1:	C[3]-4:C[3]-3:C-2:H-1:	C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[3]HS)(C[3]C[3]C)(CN)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(N)	C[3](C[3]C[3]HS)(C[3]C[3]C)(CN)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(N)	116.7890	0.000	1	116.7890	0.000	1	116.7890	0.000	1	116.7890	0.000	1	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:3:2:1:	4:	4:2:	C[3]-4:N[3]-3:C-2:H-1:	C[3]-4:	C[3]-4:C-2:	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	H(C[3]C[3]N[3]C)	C(C[3]C[3]N[3]H)(CH)	C[3](C[3]N[3]CH)(N[3]C[3]C)(CC)(H)	H(C[3]C[3]N[3]C)	C(C[3]C[3]N[3]H)(CH)	115.0280	0.000	1	115.0280	0.000	1	115.0280	0.000	1	115.0280	0.000	1	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:1:	C[3,6]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:N-1:	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]CH)(CN)(H)	H(C[3]C[3,6]C[3]C)	C(C[3]C[3,6]C[3]H)(N)	C[3](C[3,6]C[3]N[6]2)(C[3]C[3,6]CH)(CN)(H){4|C<3>}	H(C[3]C[3,6]C[3]C)	C(C[3]C[3,6]C[3]H)(N)	113.9085	0.643	2	113.9085	0.413	2	113.9085	0.413	2	114.7374	1.868	5	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:1:	C[3]-4:C[3,5]-4:C-2:H-1:	C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)(H)	H(C[3]C[3,5]C[3]C)	C(C[3]C[3,5]C[3]H)(N)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)(H){1|O<1>,2|H<1>,4|C<3>}	H(C[3]C[3,5]C[3]C)	C(C[3]C[3,5]C[3]H)(N)	114.7900	0.000	1	114.7900	0.000	1	114.7900	0.000	1	114.7374	1.868	5	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:1:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)(H){2|C<3>}	H(C[3]C[3]2C)	C(C[3]C[3]2H)(N)	115.5400	2.096	2	115.5400	4.393	2	115.5400	4.393	2	114.7374	1.868	5	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:C-2:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CH)	115.3010	0.000	1	115.3010	0.000	1	115.6969	1.300	41	115.7065	1.272	42	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:C-2:	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CH)	C[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC)(H){1|C<4>,1|H<1>,1|O<2>}	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CH)	115.1730	0.195	2	115.1730	0.038	2	115.6969	1.300	41	115.7065	1.272	42	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:C-2:	C[3](C[3]C[3]HH)2(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CC)	C[3](C[3]C[3]HH)2(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CC)	115.8491	1.273	28	115.8491	1.620	28	115.6969	1.300	41	115.7065	1.272	42	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:C-2:	C[3](C[3]C[3]HH)2(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CC[6])	C[3](C[3]C[3]HH)2(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CC[6])	115.4265	0.770	2	115.4265	0.593	2	115.6969	1.300	41	115.7065	1.272	42	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:C-2:	C[3](C[3]C[3]HH)2(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CC[6a])	C[3](C[3]C[3]HH)2(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CC[6a])	115.8923	0.969	3	115.8923	0.939	3	115.6969	1.300	41	115.7065	1.272	42	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:C-2:	C[3](C[3]C[3]HH)2(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CHf)	C[3](C[3]C[3]HH)2(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CHf)	115.6950	0.006	2	115.6950	0.000	2	115.6969	1.300	41	115.7065	1.272	42	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:C-2:	C[3](C[3]C[3]HH)2(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CZr)	C[3](C[3]C[3]HH)2(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CZr)	115.3700	0.000	1	115.3700	0.000	1	115.6969	1.300	41	115.7065	1.272	42	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:C-2:	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CH)	C[3](C[3]C[6a]2C[3])(C[3]C[3]HH)(CC)(H){4|C<3>}	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CH)	113.7830	0.000	1	113.7830	0.000	1	115.6969	1.300	41	115.7065	1.272	42	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:C-2:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CC[6a])	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(CC)(H){2|C<3>}	H(C[3]C[3]2C)	C(C[3]C[3]2H)(CC[6a])	115.0770	0.000	1	115.0770	0.000	1	115.6969	1.300	41	115.7065	1.272	42	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:2:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:N-2:	C[3](C[3]C[3]HH)2(CN)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(NAs)	C[3](C[3]C[3]HH)2(CN)(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(NAs)	116.1020	0.000	1	116.1020	0.000	1	116.1020	0.000	1	115.7065	1.272	42	115.6468	1.358	51	115.6468	1.358	51
486	951	983	0:SP3_SP-NON_SP1	C[3]	H	C	4:4:2:1:	4:	4:3:	C[3]-4:C[3]-4:C-2:H-1:	C[3]-4:	C[3]-4:C[6]-3:	C[3](C[3]C[3]HH)2(CC[6])(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(C[6]Si[6]2)	C[3](C[3]C[3]HH)2(CC[6])(H)	H(C[3]C[3]2C)	C(C[3]C[3]2H)(C[6]Si[6]2)	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	115.6500	0.000	1	115.6468	1.358	51	115.6468	1.358	51
486	951	992	0:SP3_SP-NON_SP3	C[3]	H	P	4:4:4:1:	4:	3:3:4:4:	C[3]-4:C[3]-4:P-4:H-1:	C[3]-4:	C[6a]-3:C[6a]-3:C[3]-4:B-4:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6a]2B)(H)	H(C[3]C[3]2P)	P(C[6a]C[6a]2)2(C[3]C[3]2H)(BH3)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6a]2B)(H){2|C<3>}	H(C[3]C[3]2P)	P(C[6a]C[6a]2)2(C[3]C[3]2H)(BH3)	115.7480	0.000	1	115.7480	0.000	1	115.7480	0.000	1	115.7480	0.000	1	114.0902	4.436	6	114.0902	4.436	6
486	951	992	0:SP3_SP-NON_SP3	C[3]	H	P	4:4:4:1:	4:	3:4:4:1:	C[3]-4:C[3]-4:P-4:H-1:	C[3]-4:	C[6a]-3:C[3]-4:C-4:S-1:	C[3](C[3]C[3]HH)2(PC[6a]CS)(H)	H(C[3]C[3]2P)	P(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(S)	C[3](C[3]C[3]HH)2(PC[6a]CS)(H)	H(C[3]C[3]2P)	P(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(S)	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	114.0902	4.436	6	114.0902	4.436	6
486	951	992	0:SP3_SP-NON_SP3	C[3]	H	P	4:4:4:1:	4:	4:3:3:1:	B[3]-4:C[3]-4:P-4:H-1:	C[3]-4:	C[3]-4:C[6a]-3:C[6a]-3:H-1:	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H)	H(C[3]B[3]C[3]P)	P(C[3]B[3]C[3]H)(C[6a]C[6a]2)2(H)	C[3](B[3]C[6a]2C[3])(C[3]B[3]HH)(PC[6a]2H)(H){4|C<3>}	H(C[3]B[3]C[3]P)	P(C[3]B[3]C[3]H)(C[6a]C[6a]2)2(H)	112.1110	0.000	1	112.1110	0.000	1	112.1110	0.000	1	112.1110	0.000	1	114.0902	4.436	6	114.0902	4.436	6
486	951	992	0:SP3_SP-NON_SP3	C[3]	H	P	4:4:4:1:	4:	4:4:4:1:	C[3]-4:C[3]-4:P-4:H-1:	C[3]-4:	C[3]-4:C[6]-4:C[6]-4:O-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6]2O)(H)	H(C[3]C[3]2P)	P(C[3]C[3]2H)(C[6]C[6]2H)2(O)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(PC[6]2O)(H){2|C<3>}	H(C[3]C[3]2P)	P(C[3]C[3]2H)(C[6]C[6]2H)2(O)	115.3340	0.033	2	115.3340	0.001	2	115.3340	0.001	2	115.3340	0.001	2	114.0902	4.436	6	114.0902	4.436	6
486	951	992	0:SP3_SP-NON_SP3	C[3]	H	P	4:4:4:1:	4:	4:4:4:4:	C[3,6]-4:C[3,6]-4:P-4:H-1:	C[3]-4:	C[3]-4:C-4:C-4:C-4:	C[3](C[3,6]C[3,6]C[6]H)2(PC3)(H)	H(C[3]C[3,6]2P)	P(C[3]C[3,6]2H)(CC3)3	C[3](C[3,6]C[3,6]C[6]H)2(PC3)(H){2|C<3>,2|H<1>}	H(C[3]C[3,6]2P)	P(C[3]C[3,6]2H)(CC3)3	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	110.7630	0.000	1	114.0902	4.436	6	114.0902	4.436	6
486	952	952	0:SP3_SP3_SP3	C[3]	S	S	3:4:4:2:	4:3:1:1:	4:3:1:1:	C[3]-3:S-4:S-4:N[3]-2:	C[3]-4:C[6a]-3:O-1:O-1:	C[3]-4:C[6a]-3:O-1:O-1:	C[3](C[3]C[6a]N[3])(SC[6a]OO)2(N[3]C[3])	S(C[3]C[3]N[3]S)(C[6a]C[6a]2)(O)2	S(C[3]C[3]N[3]S)(C[6a]C[6a]2)(O)2	C[3](C[3]C[6a]N[3])(SC[6a]OO)2(N[3]C[3]){2|C<3>}	S(C[3]C[3]N[3]S)(C[6a]C[6a]2)(O)2	S(C[3]C[3]N[3]S)(C[6a]C[6a]2)(O)2	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1	121.1910	0.000	1
486	952	962	0:SP3_SP3_SP3	C[3]	S	O[3]	4:2:4:3:	4:4:1:1:	4:4:	C[3]-4:O[3]-2:S-4:C-3:	C[3]-4:C[3]-4:O-1:O-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O)	S(C[3]C[3]O[3]C)2(O)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(SC[3]OO)(CC[6a]O){2|C<3>}	S(C[3]C[3]O[3]C)2(O)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CS){2|C<3>}	110.4290	0.103	2	110.4290	0.011	2	110.4290	0.011	2	110.4290	0.011	2	111.4953	3.417	3	111.4953	3.417	3
486	952	962	0:SP3_SP3_SP3	C[3]	S	O[3]	4:4:2:3:	4:3:1:1:	4:4:	C[3]-4:S-4:O[3]-2:S-3:	C[3]-4:C[6a]-3:O-1:O-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(SC[6a]OO)(O[3]C[3])(SC[6a]O)	S(C[3]C[3]O[3]S)(C[6a]C[6a]2)(O)2	O[3](C[3]C[3]CH)(C[3]C[3]SS)	C[3](C[3]O[3]CH)(SC[6a]OO)(O[3]C[3])(SC[6a]O)	S(C[3]C[3]O[3]S)(C[6a]C[6a]2)(O)2	O[3](C[3]C[3]CH)(C[3]C[3]SS)	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	113.6280	0.000	1	111.4953	3.417	3	111.4953	3.417	3
486	952	983	0:SP3_SP1_SP3	C[3]	S	C	4:4:4:2:	3:4:1:1:	4:1:	C[3]-4:C[3]-4:S-4:C-2:	C[6a]-3:C[3]-4:O-1:O-1:	C[3]-4:N-1:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CN)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C(C[3]C[3]2S)(N)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(SC[6a]OO)(CN)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C(C[3]C[3]2S)(N)	113.7260	0.000	2	113.7260	0.000	2	112.9460	3.478	4	112.9460	3.478	4	112.9460	3.478	4	112.9460	3.478	4
486	952	983	0:SP3_SP1_SP3	C[3]	S	C	4:4:4:2:	3:4:1:1:	4:1:	C[3]-4:C[3]-4:S-4:C-2:	C[6a]-3:C[3]-4:O-1:O-1:	C[3]-4:N-1:	C[3](C[3]C[3]FH)(C[3]C[3]HH)(SC[6a]OO)(CN)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C(C[3]C[3]2S)(N)	C[3](C[3]C[3]FH)(C[3]C[3]HH)(SC[6a]OO)(CN)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C(C[3]C[3]2S)(N)	114.1660	0.000	1	114.1660	0.000	1	112.9460	3.478	4	112.9460	3.478	4	112.9460	3.478	4	112.9460	3.478	4
486	952	983	0:SP3_SP1_SP3	C[3]	S	C	4:4:4:2:	3:4:1:1:	4:1:	C[3]-4:C[3]-4:S-4:C-2:	C[6a]-3:C[3]-4:O-1:O-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN)	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C(C[3]C[3]2S)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(SC[6a]OO)(CN){2|C<3>}	S(C[6a]C[6a]2)(C[3]C[3]2C)(O)2	C(C[3]C[3]2S)(N)	110.1660	0.000	1	110.1660	0.000	1	112.9460	3.478	4	112.9460	3.478	4	112.9460	3.478	4	112.9460	3.478	4
486	956	956	0:SP3_SP3_SP3	C[3]	N	N	4:4:3:3:	4:4:4:	4:4:4:	C[3]-4:C[3]-4:N-3:N-3:	C[5]-4:C[3]-4:C-4:	C[5]-4:C[3]-4:C-4:	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NC[5]C)2	N(C[5]C[5]2Fe)(C[3]C[3]2N)(CCHH)	N(C[5]C[5]2Fe)(C[3]C[3]2N)(CCHH)	C[3](C[3]C[3]CH)(C[3]C[3]HH)(NC[5]C)2	N(C[5]C[5]2Fe)(C[3]C[3]2N)(CCHH)	N(C[5]C[5]2Fe)(C[3]C[3]2N)(CCHH)	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1
486	956	962	0:SP3_SP2_SP3	C[3,3]	N	O[3]	9:2:2:3:	4:4:4:	9:4:	Nb[4x3]-9:O[3]-2:O[3]-2:N-3:	C[3,3]-4:C-4:C-4:	Nb[4x3]-9:C[3,3]-4:	C[3,3](Nb[4x3]C[3,3]O[3]4Cl3)(O[3]Nb[4x3])2(NCC)	N(C[3,3]Nb[4x3]O[3]2)(CCHH)2	O[3](Nb[4x3]C[3,3]2O[3]3Cl3)(C[3,3]Nb[4x3]O[3]N)	C[3,3](Nb[4x3]C[3,3]O[3]4Cl3)(O[3]Nb[4x3])2(NCC){1|N<3>}	N(C[3,3]Nb[4x3]O[3]2)(CCHH)2	O[3](Nb[4x3]C[3,3]2O[3]3Cl3)(C[3,3]Nb[4x3]O[3]N){1|N<3>}	123.2505	0.306	2	123.2505	0.094	2	123.2505	0.094	2	123.2505	0.094	2	123.2505	0.094	2	115.8173	28.297	7
486	956	962	0:SP3_SP2_SP3	C[3]	N	O[3]	4:2:2:3:	4:1:1:	4:4:	C[3]-4:O[3]-2:S-2:N-3:	C[3]-4:O-1:O-1:	C[3]-4:C[3]-4:	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a])(NOO)	N(C[3]C[3]O[3]S)(O)2	O[3](C[3]C[3]CH)(C[3]C[3]NS)	C[3](C[3]O[3]CH)(O[3]C[3])(SC[6a])(NOO)	N(C[3]C[3]O[3]S)(O)2	O[3](C[3]C[3]CH)(C[3]C[3]NS)	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	111.6450	0.000	1	112.8440	3.745	5	115.8173	28.297	7
486	956	962	0:SP3_SP2_SP3	C[3]	N	O[3]	4:2:3:1:	4:1:1:	4:4:	C[3,4]-4:O[3]-2:N-3:H-1:	C[3]-4:O-1:O-1:	C[3,4]-4:C[3]-4:	C[3](C[3,4]C[4]2O[3])(O[3]C[3,4])(NOO)(H)	N(C[3]C[3,4]O[3]H)(O)2	O[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HN)	C[3](C[3,4]C[4]2O[3])(O[3]C[3,4])(NOO)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	N(C[3]C[3,4]O[3]H)(O)2	O[3](C[3,4]C[3]C[4]2)(C[3]C[3,4]HN){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	114.9640	0.000	1	112.8440	3.745	5	115.8173	28.297	7
486	956	962	0:SP3_SP2_SP3	C[3]	N	O[3]	4:2:3:3:	4:3:4:	4:4:	C[3]-4:O[3]-2:C-3:N-3:	C[3]-4:C-3:C-4:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC)	N(C[3]C[3]O[3]C)(CC[6a]O)(CH3)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(NCC){2|C<3>}	N(C[3]C[3]O[3]C)(CC[6a]O)(CH3)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	114.8480	0.000	1	114.8480	0.000	1	114.8480	0.000	1	114.8480	0.000	1	112.8440	3.745	5	115.8173	28.297	7
486	956	962	0:SP3_SP2_SP3	C[3]	N	O[3]	4:2:4:3:	4:1:1:	4:4:	C[3]-4:O[3]-2:C-4:N-3:	C[3]-4:O-1:O-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO)	N(C[3]C[3]O[3]C)(O)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)(NOO){2|C<3>}	N(C[3]C[3]O[3]C)(O)2	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CN){2|C<3>}	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	111.9950	0.000	1	112.8440	3.745	5	115.8173	28.297	7
486	956	962	0:SP3_SP2_SP3	C[3]	N	O[3]	4:3:2:3:	4:1:1:	4:4:	C[3]-4:C[6a]-3:O[3]-2:N-3:	C[3]-4:O-1:O-1:	C[3]-4:C[3]-4:	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO)	N(C[3]C[6a]C[3]O[3])(O)2	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N)	C[3](C[3]C[6a]O[3]H)(C[6a]C[6a]2)(O[3]C[3])(NOO){2|H<1>,4|C<3>}	N(C[3]C[6a]C[3]O[3])(O)2	O[3](C[3]C[6a]C[3]H)(C[3]C[6a]C[3]N){4|C<3>}	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	110.7680	0.000	1	112.8440	3.745	5	115.8173	28.297	7
486	956	962	0:SP3_SP3_SP3	C[3,3]	N	O[3]	9:2:2:3:	4:4:4:	9:4:	Nb[4x3]-9:O[3]-2:O[3]-2:N-3:	C[3,3]-4:C-4:C-4:	Nb[4x3]-9:C[3,3]-4:	C[3,3](Nb[4x3]C[3,3]O[3]4Cl3)(O[3]Nb[4x3])2(NCC)	N(C[3,3]Nb[4x3]O[3]2)(CCHH)2	O[3](Nb[4x3]C[3,3]2O[3]3Cl3)(C[3,3]Nb[4x3]O[3]N)	C[3,3](Nb[4x3]C[3,3]O[3]4Cl3)(O[3]Nb[4x3])2(NCC){1|N<3>}	N(C[3,3]Nb[4x3]O[3]2)(CCHH)2	O[3](Nb[4x3]C[3,3]2O[3]3Cl3)(C[3,3]Nb[4x3]O[3]N){1|N<3>}	123.4315	0.494	2	123.4315	0.244	2	123.4315	0.244	2	123.4315	0.244	2	123.4315	0.244	2	123.4315	0.244	2
486	956	968	0:SP3_SP-NON_SP2	C[3,6]	N	H[3]	3:5:2:3:	4:3:4:	4:5:	C[5a,6]-3:C[3,6]-5:H[3]-2:N-3:	C[3,6]-4:C-3:C-4:	C[3,6]-4:C[3,6]-5:	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC)	N(C[3,6]C[5a,6]C[3,6]H[3])(CC[6a]O)(CCHH)	H[3](C[3,6]C[5a,6]C[3,6]N)(C[3,6]C[3,6]C[6]HH)	C[3,6](C[5a,6]C[5a,6a]C[5a,6])(C[3,6]C[6]H[3]HH)(H[3]C[3,6])(NCC){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N(C[3,6]C[5a,6]C[3,6]H[3])(CC[6a]O)(CCHH)	H[3](C[3,6]C[5a,6]C[3,6]N)(C[3,6]C[3,6]C[6]HH)	124.8000	0.000	1	124.8000	0.000	1	124.8000	0.000	1	124.8000	0.000	1	124.8000	0.000	1	124.8000	0.000	1
486	956	992	0:SP3_SP2_SP3	C[3]	N	P	4:4:4:3:	4:3:1:	4:2:2:1:	C[3]-4:C[3]-4:P-4:N-3:	C[3]-4:C-3:H-1:	C[3]-4:O-2:O-2:O-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH)	N(C[3]C[3]2P)(CCO)(H)	P(C[3]C[3]2N)(OC)2(O)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]HH)(PO3)(NCH){2|C<3>}	N(C[3]C[3]2P)(CCO)(H)	P(C[3]C[3]2N)(OC)2(O)	114.0505	0.720	4	114.0505	0.518	4	114.0505	0.518	4	114.0505	0.518	4	114.0505	0.518	4	114.0505	0.518	4
486	962	962	0:SP3_SP3_SP3	C[3,3,6]	O[3]	O[3]	7:2:2:2:	7:4:	7:4:	Nb[3,3,6,6]-7:O[3]-2:O[3]-2:O[6]-2:	Nb[3,3,6,6]-7:C[3,3,6]-4:	Nb[3,3,6,6]-7:C[3,3,6]-4:	C[3,3,6](Nb[3,3,6,6]N[6]2O[3]2O[6]N)(O[3]Nb[3,3,6,6])2(O[6]Nb[3,3,6,6])	O[3](Nb[3,3,6,6]C[3,3,6]N[6]2O[3]O[6]N)(C[3,3,6]Nb[3,3,6,6]O[3]O[6])	O[3](Nb[3,3,6,6]C[3,3,6]N[6]2O[3]O[6]N)(C[3,3,6]Nb[3,3,6,6]O[3]O[6])	C[3,3,6](Nb[3,3,6,6]N[6]2O[3]2O[6]N)(O[3]Nb[3,3,6,6])2(O[6]Nb[3,3,6,6]){1|C<4>,1|N<2>,2|N<3>,2|O<2>,4|C<3>}	O[3](Nb[3,3,6,6]C[3,3,6]N[6]2O[3]O[6]N)(C[3,3,6]Nb[3,3,6,6]O[3]O[6]){1|Nb<7>,1|C<4>,4|C<3>}	O[3](Nb[3,3,6,6]C[3,3,6]N[6]2O[3]O[6]N)(C[3,3,6]Nb[3,3,6,6]O[3]O[6]){1|Nb<7>,1|C<4>,4|C<3>}	116.5710	0.089	2	116.5710	0.008	2	116.5710	0.008	2	116.5710	0.008	2	116.5710	0.008	2	114.9262	3.631	4
486	962	962	0:SP3_SP3_SP3	C[3,3]	O[3]	O[3]	9:2:2:3:	9:4:	9:4:	Nb[4x3]-9:O[3]-2:O[3]-2:N-3:	Nb[4x3]-9:C[3,3]-4:	Nb[4x3]-9:C[3,3]-4:	C[3,3](Nb[4x3]C[3,3]O[3]4Cl3)(O[3]Nb[4x3])2(NCC)	O[3](Nb[4x3]C[3,3]2O[3]3Cl3)(C[3,3]Nb[4x3]O[3]N)	O[3](Nb[4x3]C[3,3]2O[3]3Cl3)(C[3,3]Nb[4x3]O[3]N)	C[3,3](Nb[4x3]C[3,3]O[3]4Cl3)(O[3]Nb[4x3])2(NCC){1|N<3>}	O[3](Nb[4x3]C[3,3]2O[3]3Cl3)(C[3,3]Nb[4x3]O[3]N){1|N<3>}	O[3](Nb[4x3]C[3,3]2O[3]3Cl3)(C[3,3]Nb[4x3]O[3]N){1|N<3>}	113.2815	0.251	2	113.2815	0.063	2	113.2815	0.063	2	113.2815	0.063	2	113.2815	0.063	2	114.9262	3.631	4
486	962	962	3:SP3_SP3_SP3	C[3]	O[3]	O[3]	2:2:3:2:	4:2:	4:2:	O[3]-2:O[3]-2:C-3:O-2:	C[3]-4:O[3]-2:	C[3]-4:O[3]-2:	C[3](O[3]O[3])2(CCC)(OC)	O[3](C[3]O[3]CO)(O[3]C[3])	O[3](C[3]O[3]CO)(O[3]C[3])	C[3](O[3]O[3])2(CCC)(OC)	O[3](C[3]O[3]CO)(O[3]C[3])	O[3](C[3]O[3]CO)(O[3]C[3])	41.2550	0.000	1	41.2550	0.000	1	41.2550	0.000	1	41.2550	0.000	1	41.2550	0.000	1	41.2550	0.000	1
486	962	968	0:SP3_SP-NON_SP3	C[3]	O[3]	H[3]	2:2:4:3:	4:2:	4:2:	H[3]-2:O[3]-2:N-4:C-3:	C[3]-4:H[3]-2:	C[3]-4:O[3]-2:	C[3](H[3]O[3])(O[3]H[3])(NC[3]3)(CCH)	O[3](C[3]H[3]CN)(H[3]C[3])	H[3](C[3]O[3]CN)(O[3]C[3])	C[3](H[3]O[3])(O[3]H[3])(NC[3]3)(CCH)	O[3](C[3]H[3]CN)(H[3]C[3])	H[3](C[3]O[3]CN)(O[3]C[3])	45.3410	0.000	1	45.3410	0.000	1	45.3410	0.000	1	45.3410	0.000	1	45.3410	0.000	1	45.3410	0.000	1
486	962	976	0:SP3_SP2_SP3	C[3,5,6]	O[3]	O[5]	4:3:2:2:	4:4:	4:3:	C[3,6]-4:C[5,6]-3:O[3]-2:O[5]-2:	C[3,5,6]-4:C[3,6]-4:	C[3,5,6]-4:C[5]-3:	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5])	O[3](C[3,5,6]C[3,6]C[5,6]O[5])(C[3,6]C[3,5,6]C[6,6]H)	O[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]O)	C[3,5,6](C[3,6]C[6,6]O[3]H)(C[5,6]C[3,6]C[5])(O[3]C[3,6])(O[5]C[5]){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	O[3](C[3,5,6]C[3,6]C[5,6]O[5])(C[3,6]C[3,5,6]C[6,6]H){1|H<1>,2|C<3>,3|C<4>}	O[5](C[3,5,6]C[3,6]C[5,6]O[3])(C[5]C[5]O){1|H<1>,3|C<4>}	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	115.4150	0.000	1	113.9193	1.100	6
486	962	976	0:SP3_SP2_SP3	C[3,5]	O[3]	O[5]	4:2:2:1:	4:4:	4:3:	C[3,5]-4:O[3]-2:O[5]-2:H-1:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-3:	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H)	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]O[5]H)	O[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O)	C[3,5](C[3,5]C[5,5]O[3]H)(O[3]C[3,5])(O[5]C[5])(H){1|O<1>,2|C<4>}	O[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]O[5]H){1|C<3>,2|C<4>}	O[5](C[3,5]C[3,5]O[3]H)(C[5]C[5,5]O){1|H<1>,2|C<4>}	112.7715	0.179	2	112.7715	0.032	2	112.7715	0.032	2	112.7715	0.032	2	113.6202	0.703	5	113.9193	1.100	6
486	962	976	0:SP3_SP2_SP3	C[3,5]	O[3]	O[5]	4:3:2:2:	4:4:	4:3:	C[3]-4:C[5]-3:O[3]-2:O[5]-2:	C[3,5]-4:C[3]-4:	C[3,5]-4:C[5]-3:	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5])	O[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CH)	O[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O)	C[3,5](C[3]O[3]CH)(C[5]C[5]H)(O[3]C[3])(O[5]C[5]){1|H<1>,1|O<1>}	O[3](C[3,5]C[3]C[5]O[5])(C[3]C[3,5]CH){1|H<1>,2|C<3>}	O[5](C[3,5]C[3]C[5]O[3])(C[5]C[5]O){1|C<4>,3|H<1>}	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	113.6202	0.703	5	113.9193	1.100	6
486	962	976	0:SP3_SP2_SP3	C[3,5]	O[3]	O[5]	4:4:2:2:	4:4:	4:3:	C[5,5]-4:C[3]-4:O[5]-2:O[3]-2:	C[3,5]-4:C[3]-4:	C[3,5]-4:C[5,6a]-3:	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3])	O[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]C[6a]H)	O[5](C[3,5]C[5,5]C[3]O[3])(C[5,6a]C[5,6a]C[6a])	C[3,5](C[5,5]C[5,6a]N[5]O[5])(C[3]C[6a]O[3]H)(O[5]C[5,6a])(O[3]C[3]){1|C<4>,1|O<2>,5|C<3>}	O[3](C[3,5]C[5,5]C[3]O[5])(C[3]C[3,5]C[6a]H){1|N<3>,1|O<2>,4|C<3>}	O[5](C[3,5]C[5,5]C[3]O[3])(C[5,6a]C[5,6a]C[6a]){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	113.9555	0.248	2	113.9555	0.062	2	113.9555	0.062	2	113.9555	0.062	2	113.6202	0.703	5	113.9193	1.100	6
486	962	976	0:SP3_SP3_SP3	C[3,5]	O[3]	O[5]	4:3:2:2:	4:4:	4:4:	C[3,5]-4:C[6a]-3:O[3]-2:O[5]-2:	C[3,5]-4:C[3,5]-4:	C[3,5]-4:C[5]-4:	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5])	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C)	O[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH)	C[3,5](C[3,5]C[5]O[3]C)(C[6a]C[6a]2)(O[3]C[3,5])(O[5]C[5]){2|C<3>,2|C<4>,4|H<1>}	O[3](C[3,5]C[3,5]C[6a]O[5])(C[3,5]C[3,5]C[5]C){2|C<3>,3|C<4>}	O[5](C[3,5]C[3,5]C[6a]O[3])(C[5]C[5]HH){2|C<3>,3|C<4>}	112.0190	0.000	1	112.0190	0.000	1	112.0190	0.000	1	112.0190	0.000	1	112.0190	0.000	1	112.0190	0.000	1
486	962	983	0:SP3_SP1_SP3	C[3]	O[3]	C	4:2:2:2:	4:4:	4:1:	C[3]-4:O[3]-2:C-2:C-2:	C[3]-4:C[3]-4:	C[3]-4:N-1:	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	O[3](C[3]C[3]CC)2	C(C[3]C[3]O[3]C)(N)	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	O[3](C[3]C[3]CC)2	C(C[3]C[3]O[3]C)(N)	116.4415	0.326	4	116.4415	0.106	4	116.4415	0.106	4	116.4415	0.106	4	115.7843	1.002	8	115.7843	1.002	8
486	962	983	0:SP3_SP1_SP3	C[3]	O[3]	C	4:2:3:2:	4:4:	4:1:	C[3]-4:O[3]-2:C-3:C-2:	C[3]-4:C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C(C[3]C[3]O[3]C)(N)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CNO)(CN){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	C(C[3]C[3]O[3]C)(N)	116.4930	0.000	1	116.4930	0.000	1	115.6070	1.570	2	115.6070	1.570	2	115.7843	1.002	8	115.7843	1.002	8
486	962	983	0:SP3_SP1_SP3	C[3]	O[3]	C	4:2:3:2:	4:4:	4:1:	C[3]-4:O[3]-2:C-3:C-2:	C[3]-4:C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C(C[3]C[3]O[3]C)(N)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(COO)(CN){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	C(C[3]C[3]O[3]C)(N)	114.7210	0.000	1	114.7210	0.000	1	115.6070	1.570	2	115.6070	1.570	2	115.7843	1.002	8	115.7843	1.002	8
486	962	983	0:SP3_SP1_SP3	C[3]	O[3]	C	4:2:4:2:	4:4:	4:1:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:C[3]-4:	C[3]-4:N-1:	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN)	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)	C(C[3]C[3]O[3]C)(N)	C[3](C[3]C[6a]O[3]H)(O[3]C[3])(CHHN)(CN){2|C<3>}	O[3](C[3]C[6a]C[3]H)(C[3]C[3]CC){2|C<3>}	C(C[3]C[3]O[3]C)(N)	114.0350	0.000	1	114.0350	0.000	1	114.0350	0.000	1	114.0350	0.000	1	115.7843	1.002	8	115.7843	1.002	8
486	962	983	0:SP3_SP1_SP3	C[3]	O[3]	C	4:2:4:2:	4:4:	4:2:	C[3]-4:O[3]-2:C-4:C-2:	C[3]-4:C[3]-4:	C[3]-4:C-2:	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	O[3](C[3]C[3]CC)2	C(C[3]C[3]O[3]C)(CC[6a])	C[3](C[3]O[3]CC)(O[3]C[3])(CF3)(CC)	O[3](C[3]C[3]CC)2	C(C[3]C[3]O[3]C)(CC[6a])	115.2590	0.000	1	115.2590	0.000	1	115.2590	0.000	1	115.2590	0.000	1	115.7843	1.002	8	115.7843	1.002	8
486	983	983	0:SP3_SP1_SP1	C[3]	C	C	4:2:2:2:	4:1:	4:1:	C[3]-4:O[3]-2:C-2:C-2:	C[3]-4:N-1:	C[3]-4:N-1:	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	C(C[3]C[3]O[3]C)(N)	C(C[3]C[3]O[3]C)(N)	C[3](C[3]O[3]CC)(O[3]C[3])(CN)2	C(C[3]C[3]O[3]C)(N)	C(C[3]C[3]O[3]C)(N)	117.0670	0.018	2	117.0670	0.000	2	117.0670	0.000	2	117.0670	0.000	2	114.6144	1.627	16	114.6144	1.627	16
486	983	983	0:SP3_SP1_SP1	C[3]	C	C	4:4:2:2:	4:1:	4:1:	C[3,5]-4:C[3]-4:C-2:C-2:	C[3]-4:N-1:	C[3]-4:N-1:	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]OO)(CN)2	C(C[3]C[3,5]C[3]C)(N)	C(C[3]C[3,5]C[3]C)(N)	C[3](C[3,5]C[5,6a]2C[3])(C[3]C[3,5]OO)(CN)2{4|C<3>}	C(C[3]C[3,5]C[3]C)(N)	C(C[3]C[3,5]C[3]C)(N)	114.6855	0.718	2	114.6855	0.515	2	114.6855	0.515	2	114.2641	0.819	14	114.6144	1.627	16	114.6144	1.627	16
486	983	983	0:SP3_SP1_SP1	C[3]	C	C	4:4:2:2:	4:1:	4:1:	C[3,6,6]-4:C[3]-4:C-2:C-2:	C[3]-4:N-1:	C[3]-4:N-1:	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)(CN)2	C(C[3]C[3,6,6]C[3]C)(N)	C(C[3]C[3,6,6]C[3]C)(N)	C[3](C[3,6,6]C[3x6]2C[3])(C[3]C[3,6,6]OO)(CN)2{2|H<1>,4|C<4>}	C(C[3]C[3,6,6]C[3]C)(N)	C(C[3]C[3,6,6]C[3]C)(N)	115.2220	0.000	1	115.2220	0.000	1	115.2220	0.000	1	114.2641	0.819	14	114.6144	1.627	16	114.6144	1.627	16
486	983	983	0:SP3_SP1_SP1	C[3]	C	C	4:4:2:2:	4:1:	4:1:	C[3]-4:C[3,5]-4:C-2:C-2:	C[3]-4:N-1:	C[3]-4:N-1:	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2	C(C[3]C[3,5]C[3]C)(N)	C(C[3]C[3,5]C[3]C)(N)	C[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CN)2{1|N<2>,1|N<3>,1|O<1>,3|C<3>}	C(C[3]C[3,5]C[3]C)(N)	C(C[3]C[3,5]C[3]C)(N)	111.5830	0.000	1	111.5830	0.000	1	111.5830	0.000	1	114.2641	0.819	14	114.6144	1.627	16	114.6144	1.627	16
486	983	983	0:SP3_SP1_SP1	C[3]	C	C	4:4:2:2:	4:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:N-1:	C[3]-4:N-1:	C[3](C[3]C[3]CC)2(CN)2	C(C[3]C[3]2C)(N)	C(C[3]C[3]2C)(N)	C[3](C[3]C[3]CC)2(CN)2	C(C[3]C[3]2C)(N)	C(C[3]C[3]2C)(N)	114.1910	0.000	1	114.1910	0.000	1	114.3521	0.177	10	114.2641	0.819	14	114.6144	1.627	16	114.6144	1.627	16
486	983	983	0:SP3_SP1_SP1	C[3]	C	C	4:4:2:2:	4:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:N-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CN)2	C(C[3]C[3]2C)(N)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]C)(C[3]C[3]CC)(CN)2{2|C<3>}	C(C[3]C[3]2C)(N)	C(C[3]C[3]2C)(N)	114.5090	0.000	1	114.5090	0.000	1	114.3521	0.177	10	114.2641	0.819	14	114.6144	1.627	16	114.6144	1.627	16
486	983	983	0:SP3_SP1_SP1	C[3]	C	C	4:4:2:2:	4:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:N-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CN)2	C(C[3]C[3]2C)(N)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CC)(CN)2{2|C<3>}	C(C[3]C[3]2C)(N)	C(C[3]C[3]2C)(N)	113.5960	0.000	1	113.5960	0.000	1	114.3521	0.177	10	114.2641	0.819	14	114.6144	1.627	16	114.6144	1.627	16
486	983	983	0:SP3_SP1_SP1	C[3]	C	C	4:4:2:2:	4:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:N-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2	C(C[3]C[3]2C)(N)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)2{2|C<3>}	C(C[3]C[3]2C)(N)	C(C[3]C[3]2C)(N)	114.4563	0.422	6	114.4563	0.178	6	114.3521	0.177	10	114.2641	0.819	14	114.6144	1.627	16	114.6144	1.627	16
486	983	983	0:SP3_SP1_SP1	C[3]	C	C	4:4:2:2:	4:1:	4:1:	C[3]-4:C[3]-4:C-2:C-2:	C[3]-4:N-1:	C[3]-4:N-1:	C[3](C[3]C[6a]C[3]H)2(CN)2	C(C[3]C[3]2C)(N)	C(C[3]C[3]2C)(N)	C[3](C[3]C[6a]C[3]H)2(CN)2{4|C<3>}	C(C[3]C[3]2C)(N)	C(C[3]C[3]2C)(N)	114.4870	0.000	1	114.4870	0.000	1	114.3521	0.177	10	114.2641	0.819	14	114.6144	1.627	16	114.6144	1.627	16
486	992	992	0:SP3_SP3_SP3	C[3]	P	P	5:5:4:4:	4:3:3:2:	4:3:3:2:	B[3,3]-5:B[3,3]-5:P-4:P-4:	C[3]-4:C[6a]-3:C[6a]-3:S-2:	C[3]-4:C[6a]-3:C[6a]-3:S-2:	C[3](B[3,3]B[3,3]H[3]HH)2(PC[6a]2S)2	P(C[3]B[3,3]2P)(C[6a]C[6a]2)2(SLi)	P(C[3]B[3,3]2P)(C[6a]C[6a]2)2(SLi)	C[3](B[3,3]B[3,3]H[3]HH)2(PC[6a]2S)2	P(C[3]B[3,3]2P)(C[6a]C[6a]2)2(SLi)	P(C[3]B[3,3]2P)(C[6a]C[6a]2)2(SLi)	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1
490	2	2	0:SP3_SP2_SP2	C	B[5]	B[5]	3:3:3:1:	4:2:2:	4:2:2:	C[5a]-3:B[5]-3:B[5]-3:H-1:	C-4:O[5]-2:O[5]-2:	C-4:O[5]-2:O[5]-2:	C(C[5a]C[5a,6a]C[5a])(B[5]O[5]2)2(H)	B[5](CC[5a]B[5]H)(O[5]C[5])2	B[5](CC[5a]B[5]H)(O[5]C[5])2	C(C[5a]C[5a,6a]C[5a])(B[5]O[5]2)2(H)	B[5](CC[5a]B[5]H)(O[5]C[5])2{4|C<4>}	B[5](CC[5a]B[5]H)(O[5]C[5])2{4|C<4>}	106.3690	0.000	1	106.3690	0.000	1	106.3690	0.000	1	107.2055	1.399	2	107.1903	22.399	13	107.1903	22.399	13
490	2	2	0:SP3_SP2_SP2	C	B[5]	B[5]	3:3:3:1:	4:2:2:	4:2:2:	C[6a]-3:B[5]-3:B[5]-3:H-1:	C-4:O[5]-2:O[5]-2:	C-4:O[5]-2:O[5]-2:	C(C[6a]C[6a]2)(B[5]O[5]2)2(H)	B[5](CC[6a]B[5]H)(O[5]C[5])2	B[5](CC[6a]B[5]H)(O[5]C[5])2	C(C[6a]C[6a]2)(B[5]O[5]2)2(H)	B[5](CC[6a]B[5]H)(O[5]C[5])2{4|C<4>}	B[5](CC[6a]B[5]H)(O[5]C[5])2{4|C<4>}	108.0420	0.000	1	108.0420	0.000	1	108.0420	0.000	1	107.2055	1.399	2	107.1903	22.399	13	107.1903	22.399	13
490	2	2	0:SP3_SP2_SP2	C	B[5]	B[5]	3:3:3:3:	4:2:2:	4:2:2:	C[6a]-3:B[5]-3:B[5]-3:B[5]-3:	C-4:O[5]-2:O[5]-2:	C-4:O[5]-2:O[5]-2:	C(C[6a]C[6a]2)(B[5]O[5]2)3	B[5](CC[6a]B[5]2)(O[5]C[5])2	B[5](CC[6a]B[5]2)(O[5]C[5])2	C(C[6a]C[6a]2)(B[5]O[5]2)3	B[5](CC[6a]B[5]2)(O[5]C[5])2{4|C<4>}	B[5](CC[6a]B[5]2)(O[5]C[5])2{4|C<4>}	105.5637	1.303	3	105.5637	1.698	3	105.5637	1.698	3	107.6685	18.853	4	107.1903	22.399	13	107.1903	22.399	13
490	2	2	0:SP3_SP2_SP2	C	B[5]	B[5]	3:3:3:3:	4:2:2:	4:2:2:	C[6a]-3:C[6a]-3:B[5]-3:B[5]-3:	C-4:O[5]-2:O[5]-2:	C-4:O[5]-2:O[5]-2:	C(C[6a]C[6a]2)2(B[5]O[5]2)2	B[5](CC[6a]2B[5])(O[5]C[5])2	B[5](CC[6a]2B[5])(O[5]C[5])2	C(C[6a]C[6a]2)2(B[5]O[5]2)2	B[5](CC[6a]2B[5])(O[5]C[5])2{4|C<4>}	B[5](CC[6a]2B[5])(O[5]C[5])2{4|C<4>}	113.9830	0.000	1	113.9830	0.000	1	113.9830	0.000	1	107.6685	18.853	4	107.1903	22.399	13	107.1903	22.399	13
490	2	2	0:SP3_SP2_SP2	C	B[5]	B[5]	3:3:3:4:	2:2:4:	2:2:4:	B[5]-3:B[5]-3:B[5]-3:C-4:	O[5]-2:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:	C(B[5]O[5]2)3(CC[6a]HH)	B[5](O[5]C[5])2(CB[5]2C)	B[5](O[5]C[5])2(CB[5]2C)	C(B[5]O[5]2)3(CC[6a]HH)	B[5](O[5]C[5])2(CB[5]2C){4|C<4>}	B[5](O[5]C[5])2(CB[5]2C){4|C<4>}	107.6398	9.786	3	107.6398	95.757	3	107.6398	95.757	3	107.6398	95.757	3	107.1903	22.399	13	107.1903	22.399	13
490	2	2	0:SP3_SP2_SP2	C	B[5]	B[5]	3:3:3:4:	4:2:2:	4:2:2:	C[6a]-3:B[5]-3:B[5]-3:C-4:	C-4:O[5]-2:O[5]-2:	C-4:O[5]-2:O[5]-2:	C(C[6a]C[6a]2)(B[5]O[5]2)2(CH3)	B[5](CC[6a]B[5]C)(O[5]C[5])2	B[5](CC[6a]B[5]C)(O[5]C[5])2	C(C[6a]C[6a]2)(B[5]O[5]2)2(CH3)	B[5](CC[6a]B[5]C)(O[5]C[5])2{4|C<4>}	B[5](CC[6a]B[5]C)(O[5]C[5])2{4|C<4>}	106.5190	3.827	2	106.5190	14.645	2	106.5190	14.645	2	106.5190	14.645	2	107.1903	22.399	13	107.1903	22.399	13
490	2	2	0:SP3_SP2_SP2	C	B[5]	B[5]	3:3:4:1:	2:2:4:	2:2:4:	B[5]-3:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:	C(B[5]O[5]2)2(CC[6a]HH)(H)	B[5](O[5]C[5])2(CB[5]CH)	B[5](O[5]C[5])2(CB[5]CH)	C(B[5]O[5]2)2(CC[6a]HH)(H)	B[5](O[5]C[5])2(CB[5]CH){4|C<4>}	B[5](O[5]C[5])2(CB[5]CH){4|C<4>}	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	106.6350	0.000	1	107.1903	22.399	13	107.1903	22.399	13
490	2	2	0:SP3_SP2_SP2	C	B[5]	B[5]	4:3:3:1:	2:2:4:	2:2:4:	C-4:B[5]-3:B[5]-3:H-1:	O[5]-2:O[5]-2:C-4:	O[5]-2:O[5]-2:C-4:	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	B[5](O[5]C[5])2(CB[5]CH)	B[5](O[5]C[5])2(CB[5]CH)	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	B[5](O[5]C[5])2(CB[5]CH){4|C<4>}	B[5](O[5]C[5])2(CB[5]CH){4|C<4>}	105.7960	0.000	1	105.7960	0.000	1	105.7960	0.000	1	105.7960	0.000	1	107.1903	22.399	13	107.1903	22.399	13
490	2	466	0:SP3_SP2_SP3	C	B[5]	C[6]	4:3:1:1:	2:2:4:	4:3:4:1:	C[6]-4:B[5]-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C[6]-4:C[6]-3:C-4:H-1:	C(C[6]C[6]2H)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[6]HH){4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CB[5]HH)(H){1|C<4>,2|H<1>,2|S<4>}	118.4810	0.000	1	118.4810	0.000	1	118.4810	0.000	1	118.4810	0.000	1	111.9306	13.690	5	111.9306	13.690	5
490	2	466	0:SP3_SP2_SP3	C	B[5]	C[6]	4:3:4:1:	2:2:4:	3:3:4:1:	C[6]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH){4|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	110.5720	0.000	1	110.5720	0.000	1	109.9730	0.718	2	109.9730	0.718	2	111.9306	13.690	5	111.9306	13.690	5
490	2	466	0:SP3_SP2_SP3	C	B[5]	C[6]	4:3:4:1:	2:2:4:	3:3:4:1:	C[6]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6]-3:N[6]-3:C-4:H-1:	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH){4|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CB[5]CH)(H){1|C<3>,2|H<1>}	109.3740	0.000	1	109.3740	0.000	1	109.9730	0.718	2	109.9730	0.718	2	111.9306	13.690	5	111.9306	13.690	5
490	2	466	0:SP3_SP2_SP3	C	B[5]	C[6]	4:3:4:1:	2:2:4:	4:4:4:1:	C[6]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6]-4:C[6]-4:C-4:H-1:	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	B[5](O[5]C[5])2(CC[6]CH)	C[6](C[6]C[6]HH)2(CB[5]CH)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	B[5](O[5]C[5])2(CC[6]CH){4|C<4>}	C[6](C[6]C[6]HH)2(CB[5]CH)(H){1|C<4>,1|O<1>,2|H<1>}	110.6130	0.000	2	110.6130	0.000	2	110.6130	0.000	2	110.6130	0.000	2	111.9306	13.690	5	111.9306	13.690	5
490	2	474	0:SP3_SP2_SP3	C	B[5]	C[5]	4:3:1:1:	2:2:4:	4:4:4:1:	C[5]-4:B[5]-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C[5,6]-4:C[5]-4:C-4:H-1:	C(C[5]C[5,6]C[5]H)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[5]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H)	C(C[5]C[5,6]C[5]H)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[5]HH){4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(H){1|C<3>,2|C<4>,2|H<1>}	116.4830	0.000	1	116.4830	0.000	1	116.4830	0.000	1	116.4830	0.000	1	115.8733	5.051	3	115.8733	5.051	3
490	2	474	0:SP3_SP2_SP3	C	B[5]	C[5]	4:3:1:1:	2:2:4:	4:4:4:4:	C[5]-4:B[5]-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C[5,6]-4:C[5]-4:C-4:C-4:	C(C[5]C[5,6]C[5]C)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[5]HH)	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3)	C(C[5]C[5,6]C[5]C)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[5]HH){4|C<4>}	C[5](C[5,6]C[5,6]C[6]H)(C[5]O[5]HH)(CB[5]HH)(CH3){1|C<4>,2|C<3>,2|H<1>}	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	117.7530	0.000	1	115.8733	5.051	3	115.8733	5.051	3
490	2	474	0:SP3_SP2_SP3	C	B[5]	C[5]	4:3:4:1:	2:2:4:	4:3:4:1:	C[5]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	B[5](O[5]C[5])2(CC[5]CH)	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H)	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	B[5](O[5]C[5])2(CC[5]CH){4|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]C)(CB[5]CH)(H){2|C<3>,2|H<1>}	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	113.3840	0.000	1	115.8733	5.051	3	115.8733	5.051	3
490	2	478	0:SP3_SP2_SP3	C	B[5]	C[4]	4:3:1:1:	2:2:4:	4:3:4:4:	C[4]-4:B[5]-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C[4]-4:C[6a]-3:C[4]-4:C-4:	C(C[4]C[6a]C[4]2)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[4]HH)	C[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]HH)(CB[5]HH)	C(C[4]C[6a]C[4]2)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[4]HH){4|C<4>}	C[4](C[4]C[6a]C[4]O)(C[6a]C[6a]2)(C[4]C[4]HH)(CB[5]HH){4|C<3>,4|H<1>}	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1	114.1010	0.000	1
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:3:4:	2:2:4:	3:4:1:1:	B[5]-3:B[5]-3:B[5]-3:C-4:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C(B[5]O[5]2)3(CC[6a]HH)	B[5](O[5]C[5])2(CB[5]2C)	C(C[6a]C[6a]2)(CB[5]3)(H)2	C(B[5]O[5]2)3(CC[6a]HH)	B[5](O[5]C[5])2(CB[5]2C){4|C<4>}	C(C[6a]C[6a]2)(CB[5]3)(H)2	110.7173	3.550	3	110.7173	12.603	3	110.7173	12.603	3	110.7173	12.603	3	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:3:4:	4:2:2:	4:1:1:1:	C[6a]-3:B[5]-3:B[5]-3:C-4:	C-4:O[5]-2:O[5]-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)2(CH3)	B[5](CC[6a]B[5]C)(O[5]C[5])2	C(CC[6a]B[5]2)(H)3	C(C[6a]C[6a]2)(B[5]O[5]2)2(CH3)	B[5](CC[6a]B[5]C)(O[5]C[5])2{4|C<4>}	C(CC[6a]B[5]2)(H)3	109.6580	0.975	4	109.6580	0.951	4	109.6580	0.951	4	109.6212	0.775	6	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:3:4:	4:2:2:	4:1:1:1:	C[6a]-3:B[5]-3:C-3:C-4:	C-4:O[5]-2:O[5]-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]C)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2	C(CC[6a]B[5]C)(H)3	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]C)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2{4|C<4>}	C(CC[6a]B[5]C)(H)3	109.5475	1.003	2	109.5475	1.007	2	109.5475	1.007	2	109.6212	0.775	6	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	2:2:4:	3:4:1:1:	B[5]-3:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C(B[5]O[5]2)2(CC[6a]HH)(H)	B[5](O[5]C[5])2(CB[5]CH)	C(C[6a]C[6a]2)(CB[5]2H)(H)2	C(B[5]O[5]2)2(CC[6a]HH)(H)	B[5](O[5]C[5])2(CB[5]CH){4|C<4>}	C(C[6a]C[6a]2)(CB[5]2H)(H)2	112.8760	1.618	2	112.8760	2.617	2	112.8760	2.617	2	113.3870	2.092	3	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	2:2:4:	3:4:1:1:	B[5]-3:N[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CN[5]CH)	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CN[5]CH){4|C<4>}	C(C[6a]C[6a]2)(CB[5]N[5]H)(H)2	114.4090	0.000	1	114.4090	0.000	1	114.4090	0.000	1	113.3870	2.092	3	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	2:2:4:	4:1:1:1:	B[5]-3:C-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:H-1:H-1:H-1:	C(B[5]O[5]2)(CN[6]O)(CH3)(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(H)3	C(B[5]O[5]2)(CN[6]O)(CH3)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(CB[5]CH)(H)3	111.7670	0.000	1	111.7670	0.000	1	111.7670	0.000	1	112.1525	0.153	4	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	2:2:4:	4:1:1:1:	B[5]-3:C[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:H-1:H-1:H-1:	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	B[5](O[5]C[5])2(CC[5]CH)	C(CB[5]C[5]H)(H)3	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	B[5](O[5]C[5])2(CC[5]CH){4|C<4>}	C(CB[5]C[5]H)(H)3	112.2810	0.360	3	112.2810	0.130	3	112.2810	0.130	3	112.1525	0.153	4	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	2:2:4:	4:3:3:1:	C[6a]-3:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C[6a]-3:C[6a]-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	B[5](O[5]C[5,5])2(CC[6a]CH)	C(CC[6a]B[5]H)(C[6a]C[6a]2)2(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	B[5](O[5]C[5,5])2(CC[6a]CH){2|C<3>,2|C<4>}	C(CC[6a]B[5]H)(C[6a]C[6a]2)2(H)	110.8830	0.963	2	110.8830	0.928	2	110.8830	0.928	2	110.8830	0.928	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	4:2:2:	4:2:4:1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:S-2:C-4:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C(CC[6a]B[5]H)(SC[6a])(CCHH)(H)	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	112.6490	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	4:2:2:	4:3:1:1:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:B[6a]-3:H-1:H-1:	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2	C(CB[6a]B[5]H)(B[6a]N[6a]2)(H)2	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2{4|C<4>}	C(CB[6a]B[5]H)(B[6a]N[6a]2)(H)2	114.1035	3.675	2	114.1035	13.504	2	114.1035	13.504	2	114.2177	3.073	9	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	4:2:2:	4:3:1:1:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:C-3:H-1:H-1:	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CB[6a]CH)(O[5]C[5])2	C(CB[6a]B[5]H)(COO)(H)2	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CB[6a]CH)(O[5]C[5])2{4|C<4>}	C(CB[6a]B[5]H)(COO)(H)2	114.8417	0.796	3	114.8417	0.633	3	114.8417	0.633	3	114.2177	3.073	9	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	4:2:2:	4:3:1:1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C(CC[6a]B[5]H)(CN[5]O)(H)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C(CC[6a]B[5]H)(CN[5]O)(H)2	113.8067	1.627	4	113.8067	2.649	4	113.8067	2.649	4	114.2177	3.073	9	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	4:2:2:	4:3:3:1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:B[5]-3:B[5]-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	111.9450	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	4:2:2:	4:4:1:1:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:C[5]-4:H-1:H-1:	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2{4|C<4>}	C(CB[6a]B[5]H)(C[5]C[5]2H)(H)2	113.4883	0.892	3	113.4883	0.796	3	113.4883	0.796	3	113.6337	0.615	4	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	4:2:2:	4:4:1:1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C[6]-4:C-4:H-1:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C(C[6]C[6,6]C[6]C)(CC[6a]B[5]H)(H)2	114.0700	0.000	1	114.0700	0.000	1	114.0700	0.000	1	113.6337	0.615	4	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	4:2:2:	4:4:2:1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:C-4:Se-2:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C(CC[6a]B[5]H)(CC[6a]HH)(SeC[6a])(H)	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	112.9610	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:1:	4:2:2:	4:4:3:1:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:C-4:C-3:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C(CC[6a]B[5]H)(CH3)(CCO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C(CC[6a]B[5]H)(CH3)(CCO)(H)	113.0420	1.246	2	113.0420	1.552	2	113.0420	1.552	2	113.0420	1.552	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:4:	4:2:2:	4:1:1:1:	C[6a]-3:B[5]-3:C-4:C-4:	C-4:O[5]-2:O[5]-2:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2	C(CC[6a]B[5]C)(H)3	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2{4|C<4>}	C(CC[6a]B[5]C)(H)3	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:3:4:4:	4:2:2:	4:3:1:1:	C[6a]-3:B[5]-3:C-4:C-4:	C-4:O[5]-2:O[5]-2:	C-4:C-3:H-1:H-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2	C(CC[6a]B[5]C)(COO)(H)2	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2{4|C<4>}	C(CC[6a]B[5]C)(COO)(H)2	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	109.1220	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	3:4:3:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:C-3:H-1:	C(B[5]O[5]2)(CC[6a]CH)(H)2	B[5](O[5]C[5])2(CCHH)	C(C[6a]C[6a]2)(CB[5]HH)(CCH)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	C(C[6a]C[6a]2)(CB[5]HH)(CCH)(H)	116.3240	2.089	2	116.3240	4.363	2	114.2352	4.788	5	114.2352	4.788	5	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	3:4:3:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:C-3:H-1:	C(B[5]O[5]2)(CC[6a]CH)(H)2	B[5](O[5]C[5])2(CCHH)	C(C[6a]C[6a]2)(CB[5]HH)(CNO)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	C(C[6a]C[6a]2)(CB[5]HH)(CNO)(H)	112.8675	0.490	2	112.8675	0.240	2	114.2352	4.788	5	114.2352	4.788	5	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	3:4:3:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:C-3:H-1:	C(B[5]O[5]2)(CC[6a]CH)(H)2	B[5](O[5]C[5])2(CCHH)	C(C[6a]C[6a]2)(CB[5]HH)(COO)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	C(C[6a]C[6a]2)(CB[5]HH)(COO)(H)	112.7930	0.000	1	112.7930	0.000	1	114.2352	4.788	5	114.2352	4.788	5	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	3:4:3:4:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C[5a]-3:C-4:C-3:C-4:	C(B[5]O[5]2)(CC[5a]CC)(H)2	B[5](O[5]C[5])2(CCHH)	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	C(B[5]O[5]2)(CC[5a]CC)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	C(C[5a]C[5a]O[5a])(CB[5]HH)(CC[6a]O)(CH3)	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	118.1940	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	3:4:4:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:C-4:H-1:	C(B[5]O[5]2)(CC[6a]CH)(H)2	B[5](O[5]C[5])2(CCHH)	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	C(B[5]O[5]2)(CC[6a]CH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	C(C[6a]C[6a]2)(CB[5]HH)(CHHN)(H)	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	114.9040	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	4:3:2:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-3:C-2:H-1:	C(B[5]O[5]2)(CCCH)(H)2	B[5](O[5]C[5])2(CCHH)	C(CB[5]HH)(CCH)(CN)(H)	C(B[5]O[5]2)(CCCH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	C(CB[5]HH)(CCH)(CN)(H)	112.4180	2.123	2	112.4180	4.506	2	112.4180	4.506	2	112.4180	4.506	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	4:4:1:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH)	C(CB[5]HH)(CCHH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH){4|H<1>}	C(CB[5]HH)(CCHH)(H)2	114.9300	0.000	1	114.9300	0.000	1	114.4240	9.628	5	114.3263	7.760	6	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	4:4:1:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH)	C(CB[5]HH)(CN[5]HH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH){3|C<4>}	C(CB[5]HH)(CN[5]HH)(H)2	109.4700	0.000	1	113.2727	12.794	3	114.4240	9.628	5	114.3263	7.760	6	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	4:4:1:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH)	C(CB[5]HH)(CN[5]HH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	C(CB[5]HH)(CN[5]HH)(H)2	115.1740	1.974	2	113.2727	12.794	3	114.4240	9.628	5	114.3263	7.760	6	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	4:4:1:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH)	C(CC[6a]HN)(CB[5]HH)(H)2	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	C(CC[6a]HN)(CB[5]HH)(H)2	117.3720	0.000	1	117.3720	0.000	1	114.4240	9.628	5	114.3263	7.760	6	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	4:4:1:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	P-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CHHP)(H)2	B[5](O[5]B[5])(O[5]C[5])(CCHH)	C(PC[6a]HH)(CB[5]HH)(H)2	C(B[5]O[5]2)(CHHP)(H)2	B[5](O[5]B[5])(O[5]C[5])(CCHH){1|H<1>,3|C<3>}	C(PC[6a]HH)(CB[5]HH)(H)2	113.8380	0.000	1	113.8380	0.000	1	113.8380	0.000	1	114.3263	7.760	6	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	2:2:4:	4:4:3:1:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:C-3:H-1:	C(B[5]O[5]2)(CCCH)(H)2	B[5](O[5]C[5])2(CCHH)	C(CB[5]HH)(CCCH)(CHO)(H)	C(B[5]O[5]2)(CCCH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	C(CB[5]HH)(CCCH)(CHO)(H)	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	3:2:4:	4:4:1:1:	B[5]-3:C-4:H-1:H-1:	O[5]-3:O[5]-2:C-4:	B-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CBHH)(H)2	B[5](O[5]C[5]Li)(O[5]C[5])(CCHH)	C(BC[6a]3)(CB[5]HH)(H)2	C(B[5]O[5]2)(CBHH)(H)2	B[5](O[5]C[5]Li)(O[5]C[5])(CCHH){4|C<4>}	C(BC[6a]3)(CB[5]HH)(H)2	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	113.0000	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	3:3:4:	4:4:1:1:	B[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(B[5]C[5,6a]2)(CCHH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])2(CCHH)	C(CB[5]HH)2(H)2	C(B[5]C[5,6a]2)(CCHH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(CB[5]HH)2(H)2	123.3090	1.744	2	123.3090	3.041	2	123.3090	3.041	2	123.3090	3.041	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:1:1:	4:2:4:	4:3:1:1:	B[5]-3:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:C-3:H-1:H-1:	C(B[5]C[5]O[5])(CCHH)(H)2	B[5](C[5]C[5]RuB)(O[5]C[5])(CCHH)	C(CB[5]HH)(COO)(H)2	C(B[5]C[5]O[5])(CCHH)(H)2	B[5](C[5]C[5]RuB)(O[5]C[5])(CCHH){1|B<5>,1|C<3>,1|O<2>}	C(CB[5]HH)(COO)(H)2	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	119.3030	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:3:1:	2:2:4:	4:3:1:1:	B[5]-3:C-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-3:H-1:H-1:	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(CNO)(H)2	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH){2|C<4>,2|H<1>}	C(CB[5]CH)(CNO)(H)2	108.2460	0.515	2	108.2460	0.265	2	108.2460	0.265	2	108.2460	0.265	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:3:1:	2:2:4:	4:4:1:1:	B[5]-3:C-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH)	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(CC[6a]HH)(CB[5]CH)(H)2	109.7820	0.672	2	109.7820	0.451	2	109.7820	0.451	2	109.7820	0.451	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:3:1:	2:2:4:	4:4:2:1:	B[5]-3:C-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:O-2:H-1:	C(B[5]O[5]2)(CCHO)(CCH)(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(CCCH)(OH)(H)	C(B[5]O[5]2)(CCHO)(CCH)(H)	B[5](O[5]C[5])2(CCCH){2|C<4>,2|H<1>}	C(CB[5]CH)(CCCH)(OH)(H)	111.6750	0.000	1	111.6750	0.000	1	111.6750	0.000	1	111.6750	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:3:1:	2:2:4:	4:4:4:1:	B[5]-3:C-4:N-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:C-4:H-1:	C(B[5]O[5]2)(CCCH)(NHS)(H)	B[5](O[5]C[5,6,6])2(CCHN)	C(CB[5]HN)(CH3)2(H)	C(B[5]O[5]2)(CCCH)(NHS)(H)	B[5](O[5]C[5,6,6])2(CCHN){1|H<1>,3|C<4>}	C(CB[5]HN)(CH3)2(H)	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	114.2030	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	3:4:1:1:	B[5]-3:B-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CBCH)	C(C[6a]C[6a]2)(CB[5]BH)(H)2	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CBCH){4|C<4>}	C(C[6a]C[6a]2)(CB[5]BH)(H)2	111.2020	0.000	1	111.2020	0.000	1	111.2020	0.000	1	110.7940	0.333	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	3:4:1:1:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	B[5](O[5]C[5])2(CCCH)	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(C[6a]C[6a,6a]C[6a])(CB[5]CH)(H)2	110.3860	0.000	1	110.3860	0.000	1	110.3860	0.000	1	110.7940	0.333	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	3:4:2:1:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:N-2:H-1:	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	B[5](O[5]C[5])2(CCCH)	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(C[6a]C[6a]2)(CB[5]CH)(NS)(H)	106.7420	0.000	1	106.7420	0.000	1	106.7420	0.000	1	106.7420	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	3:4:4:1:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[5a]-3:C-4:C-4:H-1:	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH)	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(C[5a]C[5a,6a]C[5a])(CB[5]CH)(CCHH)(H)	110.1077	0.367	3	110.1077	0.135	3	110.1077	0.135	3	110.1077	0.135	3	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	4:3:1:1:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-3:H-1:H-1:	C(B[5]O[5]2)(CCCH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(CCH)(H)2	C(B[5]O[5]2)(CCCH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(CB[5]CH)(CCH)(H)2	110.6190	0.000	1	110.6190	0.000	1	108.6223	1.792	4	108.5202	1.396	5	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	4:3:1:1:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-3:H-1:H-1:	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(CNO)(H)2	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(CB[5]CH)(CNO)(H)2	107.9567	0.173	3	107.9567	0.030	3	108.6223	1.792	4	108.5202	1.396	5	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	4:3:1:1:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:N-3:H-1:H-1:	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(NCC)(H)2	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(CB[5]CH)(NCC)(H)2	108.1120	0.000	1	108.1120	0.000	1	108.1120	0.000	1	108.5202	1.396	5	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	4:4:1:1:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CCHH)2(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(CC3)(H)2	C(B[5]O[5]2)(CCHH)2(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(CB[5]CH)(CC3)(H)2	114.2035	0.052	2	114.2035	0.003	2	110.8850	9.502	5	110.8850	9.502	5	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	4:4:1:1:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CCHH)2(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(CHHO)(H)2	C(B[5]O[5]2)(CCHH)2(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(CB[5]CH)(CHHO)(H)2	108.2310	0.354	2	108.2310	0.125	2	110.8850	9.502	5	110.8850	9.502	5	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	4:4:1:1:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:H-1:H-1:	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	B[5](O[5]C[5])2(CCCH)	C(CC[6a]HH)(CB[5]CH)(H)2	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(CC[6a]HH)(CB[5]CH)(H)2	109.5560	0.000	1	109.5560	0.000	1	110.8850	9.502	5	110.8850	9.502	5	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	2:2:4:	4:4:4:1:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:C-4:H-1:	C(B[5]O[5]2)(CCCH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(CCCH)(CH3)(H)	C(B[5]O[5]2)(CCCH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(CB[5]CH)(CCCH)(CH3)(H)	113.8480	0.000	1	113.8480	0.000	1	113.8480	0.000	1	113.8480	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	3:4:4:1:	4:2:4:	4:4:1:1:	B[5]-3:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:	C-4:C-4:H-1:H-1:	C(B[5]C[5]O[5])(CCHH)2(H)	B[5](C[5]N[5]CH)(O[5]C[5])(CCCH)	C(CB[5]CH)(CCHH)(H)2	C(B[5]C[5]O[5])(CCHH)2(H)	B[5](C[5]N[5]CH)(O[5]C[5])(CCCH){1|C<3>,1|O<1>}	C(CB[5]CH)(CCHH)(H)2	110.3100	9.949	2	110.3100	98.982	2	110.3100	98.982	2	110.3100	98.982	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	4:3:3:1:	2:2:4:	3:3:4:1:	C-4:B[5]-3:B[5]-3:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:B[5]-3:C-4:H-1:	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	B[5](O[5]C[5])2(CB[5]CH)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	B[5](O[5]C[5])2(CB[5]CH){4|C<4>}	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	111.8185	0.148	2	111.8185	0.022	2	111.8185	0.022	2	111.8185	0.022	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	4:3:4:1:	2:2:4:	3:4:1:1:	C[6]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[5a]-3:C-4:H-1:H-1:	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH)	C(C[5a]C[5a]2)(CB[5]C[6]H)(H)2	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH){4|C<4>}	C(C[5a]C[5a]2)(CB[5]C[6]H)(H)2	111.1090	0.000	1	111.1090	0.000	1	111.1090	0.000	1	112.2925	2.801	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	4:3:4:1:	2:2:4:	3:4:1:1:	C[6]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH)	C(C[6a]C[6a]2)(CB[5]C[6]H)(H)2	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH){4|C<4>}	C(C[6a]C[6a]2)(CB[5]C[6]H)(H)2	113.4760	0.000	1	113.4760	0.000	1	113.4760	0.000	1	112.2925	2.801	2	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	4:3:4:1:	2:2:4:	4:2:1:1:	C[5]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:O-2:H-1:H-1:	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	B[5](O[5]C[5])2(CC[5]CH)	C(CB[5]C[5]H)(OC)(H)2	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	B[5](O[5]C[5])2(CC[5]CH){4|C<4>}	C(CB[5]C[5]H)(OC)(H)2	109.8420	0.000	1	109.8420	0.000	1	109.8420	0.000	1	109.8420	0.000	1	112.3425	10.877	90	112.3425	10.877	90
490	2	490	0:SP3_SP2_SP3	C	B[5]	C	4:3:4:1:	2:2:4:	4:4:4:1:	C[6]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-4:C-4:H-1:	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	B[5](O[5]C[5])2(CC[6]CH)	C(CB[5]C[6]H)(CCCH)(CH3)(H)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	B[5](O[5]C[5])2(CC[6]CH){4|C<4>}	C(CB[5]C[6]H)(CCCH)(CH3)(H)	112.0260	0.000	2	112.0260	0.000	2	112.0260	0.000	2	112.0260	0.000	2	112.3425	10.877	90	112.3425	10.877	90
490	2	542	0:SP3_SP2_SP2	C	B[5]	N[5]	3:3:4:1:	2:2:4:	4:3:4:	B[5]-3:N[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[5]-4:C[5]-3:C-4:	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CN[5]CH)	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH)	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CN[5]CH){4|C<4>}	N[5](C[5]C[5]HH)(C[5]O[5]O)(CB[5]CH){2|H<1>}	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1	110.6530	0.000	1
490	2	610	0:SP3_SP2_SP3	C	B[5]	B	3:4:4:1:	2:2:4:	3:3:4:2:	B[5]-3:B-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C-4:C-2:	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CBCH)	B(C[6a]C[6a]2)2(CB[5]CH)(CN)	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CBCH){4|C<4>}	B(C[6a]C[6a]2)2(CB[5]CH)(CN)	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1	112.5840	0.000	1
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:2:1:	3:3:4:	3:3:4:	C[6a]-3:B[5]-3:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	B[5](N[5]C[6a]C[5])2(CC[6a]HO)	C[6a](C[6a]C[6a]H)2(CB[5]HO)	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	B[5](N[5]C[6a]C[5])2(CC[6a]HO){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(CB[5]HO){1|C<3>,2|H<1>}	114.5730	0.000	1	114.5730	0.000	1	114.5730	0.000	1	114.5730	0.000	1	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:2:1:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:O-2:H-1:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	B[5](CC[6a]HO)(O[5]C[5])2	C[6a](C[6a]C[6a]C)2(CB[5]HO)	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	B[5](CC[6a]HO)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]C)2(CB[5]HO){1|C<3>,2|H<1>}	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	111.6960	0.000	1	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:3:1:	3:4:2:	3:3:4:	C[6a]-3:B[5]-3:N-3:H-1:	O[5]-3:C-4:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(NC[6a]Mg)(H)	B[5](O[5]C[5]Mg)(CC[6a]HN)(O[5]C[5])	C[6a](C[6a]C[6a]H)2(CB[5]HN)	C(C[6a]C[6a]2)(B[5]O[5]2)(NC[6a]Mg)(H)	B[5](O[5]C[5]Mg)(CC[6a]HN)(O[5]C[5]){4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]HN){1|C<3>,2|H<1>}	102.6400	0.000	1	102.6400	0.000	1	102.6400	0.000	1	102.6400	0.000	1	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:3:1:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:B[5]-3:H-1:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)2(H)	B[5](CC[6a]B[5]H)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(CB[5]2H)	C(C[6a]C[6a]2)(B[5]O[5]2)2(H)	B[5](CC[6a]B[5]H)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]2H){1|C<3>,2|H<1>}	113.8530	2.691	2	113.8530	7.243	2	113.8530	7.243	2	113.8530	7.243	2	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:3:1:	4:2:2:	3:4:3:	C[6a]-3:C[6a]-3:B[5]-3:H-1:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C-4:C[6a]-3:	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	B[5](CC[6a]2H)(O[5]C[5])2	C[6a](C[6a]C[6a]Br)(CC[6a]B[5]H)(C[6a]C[6a]H)	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	B[5](CC[6a]2H)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]Br)(CC[6a]B[5]H)(C[6a]C[6a]H){1|C<3>,2|H<1>}	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	113.3880	0.000	1	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:3:1:	4:2:2:	4:3:3:	C[6a]-3:C[6a]-3:B[5]-3:H-1:	C-4:O[5]-2:O[5]-2:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	B[5](CC[6a]2H)(O[5]C[5])2	C[6a](CC[6a]B[5]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	B[5](CC[6a]2H)(O[5]C[5])2{4|C<4>}	C[6a](CC[6a]B[5]H)(C[6a]C[6a]H)2{1|C<3>,2|C<4>}	107.5680	0.000	1	107.5680	0.000	1	107.5680	0.000	1	107.5680	0.000	1	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:3:3:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:B[5]-3:B[5]-3:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)3	B[5](CC[6a]B[5]2)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(CB[5]3)	C(C[6a]C[6a]2)(B[5]O[5]2)3	B[5](CC[6a]B[5]2)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]3){1|C<3>,2|H<1>}	113.0837	3.472	3	113.0837	12.056	3	113.0837	12.056	3	113.0837	12.056	3	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:3:3:	4:2:2:	4:3:3:	C[6a]-3:C[6a]-3:B[5]-3:B[5]-3:	C-4:O[5]-2:O[5]-2:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(B[5]O[5]2)2	B[5](CC[6a]2B[5])(O[5]C[5])2	C[6a](CC[6a]B[5]2)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(B[5]O[5]2)2	B[5](CC[6a]2B[5])(O[5]C[5])2{4|C<4>}	C[6a](CC[6a]B[5]2)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	107.3060	7.720	2	107.3060	59.601	2	107.3060	59.601	2	107.3060	59.601	2	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:3:4:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:B[5]-3:C-4:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)2(CH3)	B[5](CC[6a]B[5]C)(O[5]C[5])2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CB[5]2C)	C(C[6a]C[6a]2)(B[5]O[5]2)2(CH3)	B[5](CC[6a]B[5]C)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CB[5]2C){1|C<3>,2|H<1>}	112.1945	1.544	2	112.1945	2.383	2	110.1760	9.458	4	108.1882	15.160	6	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:3:4:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:B[5]-3:C-4:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)2(CH3)	B[5](CC[6a]B[5]C)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(CB[5]2C)	C(C[6a]C[6a]2)(B[5]O[5]2)2(CH3)	B[5](CC[6a]B[5]C)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]2C){1|C<3>,2|H<1>}	108.1575	3.113	2	108.1575	9.693	2	110.1760	9.458	4	108.1882	15.160	6	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:3:4:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:C-3:C-4:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]C)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(CB[5]CC)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]C)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]CC){1|C<3>,2|H<1>}	104.2125	0.086	2	104.2125	0.007	2	104.2125	0.007	2	108.1882	15.160	6	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:4:1:	2:2:4:	3:3:4:	C[6a]-3:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	B[5](O[5]C[5,5])2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CB[5]CH)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	B[5](O[5]C[5,5])2(CC[6a]CH){2|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	110.6770	0.199	2	110.6770	0.040	2	110.6770	0.040	2	110.6770	0.040	2	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:4:1:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(CB[5]CH)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	112.3410	0.000	1	112.3410	0.000	1	109.0695	7.761	10	109.0695	7.761	10	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:4:1:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(CB[5]CH)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	108.8840	1.537	2	108.8840	2.363	2	109.0695	7.761	10	109.0695	7.761	10	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:4:1:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(CB[5]CH)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	109.3143	3.501	4	109.3143	12.255	4	109.0695	7.761	10	109.0695	7.761	10	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:4:1:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C[6a](C[6a]C[6a]C)2(CB[5]CH)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]C)2(CB[5]CH){1|C<3>,2|H<1>}	109.2270	0.000	1	109.2270	0.000	1	109.0695	7.761	10	109.0695	7.761	10	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:4:1:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(CB[5]CH)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	104.6490	0.000	1	104.6490	0.000	1	109.0695	7.761	10	109.0695	7.761	10	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:4:1:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	C[6a](C[6a]C[6a]H)2(CB[5]CH)	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a]H)2(CB[5]CH){1|C<3>,2|H<1>}	109.4530	0.000	1	109.4530	0.000	1	109.0695	7.761	10	109.0695	7.761	10	109.6796	14.576	31	109.6796	14.576	31
490	2	643	0:SP3_SP2_SP2	C	B[5]	C[6a]	3:3:4:4:	4:2:2:	3:3:4:	C[6a]-3:B[5]-3:C-4:C-4:	C-4:O[5]-2:O[5]-2:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CB[5]CC)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2{4|C<4>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(CB[5]CC){1|H<1>,2|C<3>}	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	107.4570	0.000	1	109.6796	14.576	31	109.6796	14.576	31
490	2	727	0:SP3_SP2_SP2	C	B[5]	C[5a]	3:3:3:1:	4:2:2:	3:3:4:	C[5a]-3:B[5]-3:B[5]-3:H-1:	C-4:O[5]-2:O[5]-2:	C[5a,6a]-3:C[5a]-3:C-4:	C(C[5a]C[5a,6a]C[5a])(B[5]O[5]2)2(H)	B[5](CC[5a]B[5]H)(O[5]C[5])2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CB[5]2H)	C(C[5a]C[5a,6a]C[5a])(B[5]O[5]2)2(H)	B[5](CC[5a]B[5]H)(O[5]C[5])2{4|C<4>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]H)(CB[5]2H){1|H<1>,2|C<3>}	112.8385	1.459	2	112.8385	2.128	2	112.8385	2.128	2	112.8385	2.128	2	112.8385	2.128	2	112.8385	2.128	2
490	2	818	0:SP3_SP2_SP2	C	B[5]	C[5]	3:3:4:1:	2:2:4:	4:3:4:	B[5]-3:C[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C[5]-4:C[5]-3:C-4:	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	B[5](O[5]C[5])2(CC[5]CH)	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH)	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	B[5](O[5]C[5])2(CC[5]CH){4|C<4>}	C[5](C[5]C[5]HH)(C[5]C[5]2)(CB[5]CH){1|C<4>,3|C<3>,3|H<1>}	107.0777	0.209	3	107.0777	0.044	3	107.0777	0.044	3	107.0777	0.044	3	107.0777	0.044	3	107.0777	0.044	3
490	2	893	0:SP3_SP2_SP2	C	B[5]	O	3:3:2:1:	4:2:2:	4:3:	C[6a]-3:B[5]-3:O-2:H-1:	C-4:O[5]-2:O[5]-2:	C-4:B[5]-3:	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	B[5](CC[6a]HO)(O[5]C[5])2	O(CC[6a]B[5]H)(B[5]O[5]2)	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	B[5](CC[6a]HO)(O[5]C[5])2{4|C<4>}	O(CC[6a]B[5]H)(B[5]O[5]2)	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1	111.1370	0.000	1
490	2	893	0:SP3_SP2_SP3	C	B[5]	O	3:3:2:1:	3:3:4:	4:4:	C[6a]-3:B[5]-3:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:Si-4:	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	B[5](N[5]C[6a]C[5])2(CC[6a]HO)	O(CC[6a]B[5]H)(SiC3)	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	B[5](N[5]C[6a]C[5])2(CC[6a]HO){4|C<3>,4|H<1>}	O(CC[6a]B[5]H)(SiC3)	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1	109.4670	0.000	1
490	2	927	0:SP3_SP2_SP2	C	B[5]	B[6a]	3:3:4:1:	4:2:2:	3:3:4:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	N[6a]-3:N[6a]-3:C-4:	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH)	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2{4|C<4>}	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH){3|C<3>}	107.0335	3.874	2	107.0335	15.010	2	105.2848	6.052	8	105.2848	6.052	8	105.2848	6.052	8	105.2848	6.052	8
490	2	927	0:SP3_SP2_SP2	C	B[5]	B[6a]	3:3:4:1:	4:2:2:	3:3:4:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	N[6a]-3:N[6a]-3:C-4:	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CB[6a]CH)(O[5]C[5])2	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH)	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CB[6a]CH)(O[5]C[5])2{4|C<4>}	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH){3|C<3>}	105.9983	2.070	3	105.9983	4.286	3	105.2848	6.052	8	105.2848	6.052	8	105.2848	6.052	8	105.2848	6.052	8
490	2	927	0:SP3_SP2_SP2	C	B[5]	B[6a]	3:3:4:1:	4:2:2:	3:3:4:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	N[6a]-3:N[6a]-3:C-4:	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH)	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2{4|C<4>}	B[6a](N[6a]C[6a,6a]H)2(CB[5]CH){3|C<3>}	103.4053	0.520	3	103.4053	0.271	3	105.2848	6.052	8	105.2848	6.052	8	105.2848	6.052	8	105.2848	6.052	8
490	2	930	0:SP3_SP2_SP2	C	B[5]	C	3:3:3:4:	4:2:2:	4:3:1:	C[6a]-3:B[5]-3:C-3:C-4:	C-4:O[5]-2:O[5]-2:	C-4:B[5]-3:C-1:	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]C)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2	C(CC[6a]B[5]C)(B[5]O[5]2)(C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]C)(CH3)	B[5](CC[6a]CC)(O[5]C[5])2{4|C<4>}	C(CC[6a]B[5]C)(B[5]O[5]2)(C)	111.1845	0.564	2	111.1845	0.318	2	111.1845	0.318	2	111.1845	0.318	2	111.9145	5.651	8	111.9145	5.651	8
490	2	930	0:SP3_SP2_SP2	C	B[5]	C	3:3:4:1:	2:2:4:	3:4:1:	B[5]-3:C-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	N[6]-3:C-4:O-1:	C(B[5]O[5]2)(CN[6]O)(CH3)(H)	B[5](O[5]C[5])2(CCCH)	C(N[6]C[6]2)(CB[5]CH)(O)	C(B[5]O[5]2)(CN[6]O)(CH3)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(N[6]C[6]2)(CB[5]CH)(O)	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	111.3940	0.000	1	111.9145	5.651	8	111.9145	5.651	8
490	2	930	0:SP3_SP2_SP2	C	B[5]	C	3:4:3:1:	2:2:4:	4:3:1:	B[5]-3:C-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-3:H-1:	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(CCC)(H)	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH){2|C<4>,2|H<1>}	C(CB[5]CH)(CCC)(H)	114.3445	4.412	2	114.3445	19.463	2	112.3106	9.279	5	112.3106	9.279	5	111.9145	5.651	8	111.9145	5.651	8
490	2	930	0:SP3_SP2_SP2	C	B[5]	C	3:4:3:1:	2:2:4:	4:3:1:	B[5]-3:C-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-3:H-1:	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(CFF)(H)	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	C(CB[5]CH)(CFF)(H)	110.9385	1.965	2	110.9385	3.861	2	112.3106	9.279	5	112.3106	9.279	5	111.9145	5.651	8	111.9145	5.651	8
490	2	930	0:SP3_SP2_SP2	C	B[5]	C	3:4:3:1:	2:2:4:	4:3:1:	B[5]-3:C-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:C-3:H-1:	C(B[5]O[5]2)(CCHO)(CCH)(H)	B[5](O[5]C[5])2(CCCH)	C(CB[5]CH)(CHH)(H)	C(B[5]O[5]2)(CCHO)(CCH)(H)	B[5](O[5]C[5])2(CCCH){2|C<4>,2|H<1>}	C(CB[5]CH)(CHH)(H)	110.9870	0.000	1	110.9870	0.000	1	112.3106	9.279	5	112.3106	9.279	5	111.9145	5.651	8	111.9145	5.651	8
490	2	944	0:SP3_SP-NON_SP2	C	B[5]	I	3:1:1:1:	2:2:4:	4:	B[5]-3:H-1:I-1:I-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(H)(I)2	B[5](O[5]C[5])2(CHII)	I(CB[5]HI)	C(B[5]O[5]2)(H)(I)2	B[5](O[5]C[5])2(CHII){4|C<4>}	I(CB[5]HI)	110.8070	5.265	2	110.8070	27.721	2	110.8070	27.721	2	110.8070	27.721	2	110.8070	27.721	2	110.8070	27.721	2
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:1:1:1:	2:2:4:	4:	B[5]-3:H-1:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(H)3	B[5](O[5]C[3x5])2(CH3)	H(CB[5]HH)	C(B[5]O[5]2)(H)3	B[5](O[5]C[3x5])2(CH3){1|C<3>,3|C<4>}	H(CB[5]HH)	109.4515	0.019	2	109.4515	0.000	2	109.4515	0.000	2	109.0423	0.502	3	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:1:1:1:	2:2:4:	4:	B[5]-3:H-1:I-1:I-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(H)(I)2	B[5](O[5]C[5])2(CHII)	H(CB[5]II)	C(B[5]O[5]2)(H)(I)2	B[5](O[5]C[5])2(CHII){4|C<4>}	H(CB[5]II)	108.2240	0.000	1	108.2240	0.000	1	108.2240	0.000	1	109.0423	0.502	3	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:2:1:	3:3:4:	4:	C[6a]-3:B[5]-3:O-2:H-1:	N[5]-3:N[5]-3:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	B[5](N[5]C[6a]C[5])2(CC[6a]HO)	H(CC[6a]B[5]O)	C(C[6a]C[6a]2)(B[5]N[5]2)(OSi)(H)	B[5](N[5]C[6a]C[5])2(CC[6a]HO){4|C<3>,4|H<1>}	H(CC[6a]B[5]O)	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	107.4470	0.000	1	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:2:1:	4:2:2:	4:	C[6a]-3:B[5]-3:O-2:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	B[5](CC[6a]HO)(O[5]C[5])2	H(CC[6a]B[5]O)	C(C[6a]C[6a]2)(B[5]O[5]2)(OB[5])(H)	B[5](CC[6a]HO)(O[5]C[5])2{4|C<4>}	H(CC[6a]B[5]O)	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	108.0270	0.000	1	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:3:1:	3:4:2:	4:	C[6a]-3:B[5]-3:N-3:H-1:	O[5]-3:C-4:O[5]-2:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(NC[6a]Mg)(H)	B[5](O[5]C[5]Mg)(CC[6a]HN)(O[5]C[5])	H(CC[6a]B[5]N)	C(C[6a]C[6a]2)(B[5]O[5]2)(NC[6a]Mg)(H)	B[5](O[5]C[5]Mg)(CC[6a]HN)(O[5]C[5]){4|C<4>}	H(CC[6a]B[5]N)	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	109.4780	0.000	1	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:3:1:	4:2:2:	4:	C[5a]-3:B[5]-3:B[5]-3:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(C[5a]C[5a,6a]C[5a])(B[5]O[5]2)2(H)	B[5](CC[5a]B[5]H)(O[5]C[5])2	H(CC[5a]B[5]2)	C(C[5a]C[5a,6a]C[5a])(B[5]O[5]2)2(H)	B[5](CC[5a]B[5]H)(O[5]C[5])2{4|C<4>}	H(CC[5a]B[5]2)	108.1965	0.011	2	108.1965	0.000	2	108.1965	0.000	2	107.5197	0.611	4	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:3:1:	4:2:2:	4:	C[6a]-3:B[5]-3:B[5]-3:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)2(H)	B[5](CC[6a]B[5]H)(O[5]C[5])2	H(CC[6a]B[5]2)	C(C[6a]C[6a]2)(B[5]O[5]2)2(H)	B[5](CC[6a]B[5]H)(O[5]C[5])2{4|C<4>}	H(CC[6a]B[5]2)	106.8680	0.000	1	106.8680	0.000	1	106.8680	0.000	1	107.5197	0.611	4	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:3:1:	4:2:2:	4:	C[6a]-3:C[6a]-3:B[5]-3:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	B[5](CC[6a]2H)(O[5]C[5])2	H(CC[6a]2B[5])	C(C[6a]C[6a]2)2(B[5]O[5]2)(H)	B[5](CC[6a]2H)(O[5]C[5])2{4|C<4>}	H(CC[6a]2B[5])	106.8180	0.000	1	106.8180	0.000	1	106.8180	0.000	1	107.5197	0.611	4	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	2:2:4:	4:	B[5]-3:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)2(CC[6a]HH)(H)	B[5](O[5]C[5])2(CB[5]CH)	H(CB[5]2C)	C(B[5]O[5]2)2(CC[6a]HH)(H)	B[5](O[5]C[5])2(CB[5]CH){4|C<4>}	H(CB[5]2C)	108.0730	0.000	1	108.0730	0.000	1	108.0730	0.000	1	107.7924	0.294	7	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	2:2:4:	4:	B[5]-3:C-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CN[6]O)(CH3)(H)	B[5](O[5]C[5])2(CCCH)	H(CB[5]CC)	C(B[5]O[5]2)(CN[6]O)(CH3)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	H(CB[5]CC)	107.6490	0.000	1	107.6490	0.000	1	107.6490	0.000	1	107.7924	0.294	7	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	2:2:4:	4:	B[5]-3:C[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	B[5](O[5]C[5])2(CC[5]CH)	H(CB[5]C[5]C)	C(B[5]O[5]2)(C[5]C[5]2)(CH3)(H)	B[5](O[5]C[5])2(CC[5]CH){4|C<4>}	H(CB[5]C[5]C)	108.3400	0.096	2	108.3400	0.009	2	108.3400	0.009	2	107.7924	0.294	7	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	2:2:4:	4:	B[5]-3:N[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CN[5]CH)	H(CB[5]N[5]C)	C(B[5]O[5]2)(N[5]C[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CN[5]CH){4|C<4>}	H(CB[5]N[5]C)	106.7770	0.000	1	106.7770	0.000	1	106.7770	0.000	1	107.7924	0.294	7	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	2:2:4:	4:	C[6a]-3:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	B[5](O[5]C[5,5])2(CC[6a]CH)	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]2H)(H)	B[5](O[5]C[5,5])2(CC[6a]CH){2|C<3>,2|C<4>}	H(CC[6a]B[5]C)	107.6840	0.021	2	107.6840	0.000	2	107.6840	0.000	2	107.7924	0.294	7	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	4:2:2:	4:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2	H(CB[6a]B[5]C)	C(B[6a]N[6a]2)(B[5]O[5]2)(CB[6a]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2{4|C<4>}	H(CB[6a]B[5]C)	107.1640	0.000	1	107.1640	0.000	1	108.2240	0.669	7	107.5971	1.054	17	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	4:2:2:	4:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CB[6a]CH)(O[5]C[5])2	H(CB[6a]B[5]C)	C(B[6a]N[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CB[6a]CH)(O[5]C[5])2{4|C<4>}	H(CB[6a]B[5]C)	107.8227	0.444	3	107.8227	0.197	3	108.2240	0.669	7	107.5971	1.054	17	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	4:2:2:	4:	B[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2	H(CB[6a]B[5]C)	C(B[6a]N[6a]2)(B[5]O[5]2)(CC[5]HH)(H)	B[5](CB[6a]CH)(O[5]C[5])2{4|C<4>}	H(CB[6a]B[5]C)	108.9787	0.391	3	108.9787	0.153	3	108.2240	0.669	7	107.5971	1.054	17	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	4:2:2:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	B[5](CC[6a]CH)(O[5]C[5])2	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CB[5]2H)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	H(CC[6a]B[5]C)	106.1580	0.000	1	106.1580	0.000	1	107.1583	0.908	10	107.5971	1.054	17	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	4:2:2:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	H(CC[6a]B[5]C)	107.3035	0.104	2	107.3035	0.011	2	107.1583	0.908	10	107.5971	1.054	17	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	4:2:2:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	H(CC[6a]B[5]C)	107.2930	0.706	4	107.2930	0.498	4	107.1583	0.908	10	107.5971	1.054	17	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	4:2:2:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	B[5](CC[6a]CH)(O[5]C[5])2	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCHS)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	H(CC[6a]B[5]C)	105.3050	0.000	1	105.3050	0.000	1	107.1583	0.908	10	107.5971	1.054	17	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	4:2:2:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CC[6]HH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	H(CC[6a]B[5]C)	108.3560	0.000	1	108.3560	0.000	1	107.1583	0.908	10	107.5971	1.054	17	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:3:4:1:	4:2:2:	4:	C[6a]-3:B[5]-3:C-4:H-1:	C-4:O[5]-2:O[5]-2:	C-4:	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2	H(CC[6a]B[5]C)	C(C[6a]C[6a]2)(B[5]O[5]2)(CSeCH)(H)	B[5](CC[6a]CH)(O[5]C[5])2{4|C<4>}	H(CC[6a]B[5]C)	107.9850	0.000	1	107.9850	0.000	1	107.1583	0.908	10	107.5971	1.054	17	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:1:1:	2:2:4:	4:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CCCH)(H)2	B[5](O[5]C[5])2(CCHH)	H(CB[5]CH)	C(B[5]O[5]2)(CCCH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	H(CB[5]CH)	108.9020	0.438	6	108.9020	0.192	6	108.6342	0.319	28	108.6342	0.319	28	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:1:1:	2:2:4:	4:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH)	H(CB[5]CH)	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH){3|C<4>}	H(CB[5]CH)	109.7400	0.028	2	108.6486	0.435	10	108.6342	0.319	28	108.6342	0.319	28	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:1:1:	2:2:4:	4:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH)	H(CB[5]CH)	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	H(CB[5]CH)	108.3122	0.408	6	108.6486	0.435	10	108.6342	0.319	28	108.6342	0.319	28	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:1:1:	2:2:4:	4:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH)	H(CB[5]CH)	C(B[5]O[5]2)(CCHH)(H)2	B[5](O[5]C[5])2(CCHH){4|H<1>}	H(CB[5]CH)	108.5665	0.047	2	108.6486	0.435	10	108.6342	0.319	28	108.6342	0.319	28	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:1:1:	2:2:4:	4:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CC[5a]CC)(H)2	B[5](O[5]C[5])2(CCHH)	H(CB[5]CH)	C(B[5]O[5]2)(CC[5a]CC)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	H(CB[5]CH)	107.7600	0.007	2	107.7600	0.000	2	108.6342	0.319	28	108.6342	0.319	28	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:1:1:	2:2:4:	4:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CC[6a]CH)(H)2	B[5](O[5]C[5])2(CCHH)	H(CB[5]CH)	C(B[5]O[5]2)(CC[6a]CH)(H)2	B[5](O[5]C[5])2(CCHH){4|C<4>}	H(CB[5]CH)	108.6161	0.468	9	108.6161	0.219	9	108.6342	0.319	28	108.6342	0.319	28	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:1:1:	2:2:4:	4:	B[5]-3:C-4:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CHHP)(H)2	B[5](O[5]B[5])(O[5]C[5])(CCHH)	H(CB[5]CH)	C(B[5]O[5]2)(CHHP)(H)2	B[5](O[5]B[5])(O[5]C[5])(CCHH){1|H<1>,3|C<3>}	H(CB[5]CH)	108.7940	0.000	1	108.7940	0.000	1	108.6342	0.319	28	108.6342	0.319	28	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:1:1:	3:2:4:	4:	B[5]-3:C-4:H-1:H-1:	O[5]-3:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CBHH)(H)2	B[5](O[5]C[5]Li)(O[5]C[5])(CCHH)	H(CB[5]CH)	C(B[5]O[5]2)(CBHH)(H)2	B[5](O[5]C[5]Li)(O[5]C[5])(CCHH){4|C<4>}	H(CB[5]CH)	108.9810	0.052	2	108.9810	0.003	2	108.9810	0.003	2	108.9810	0.003	2	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:1:1:	3:3:4:	4:	B[5]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:	C(B[5]C[5,6a]2)(CCHH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])2(CCHH)	H(CB[5]CH)	C(B[5]C[5,6a]2)(CCHH)(H)2	B[5](C[5,6a]C[5,6a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CB[5]CH)	106.5110	0.362	4	106.5110	0.131	4	106.5110	0.131	4	106.5110	0.131	4	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:1:1:	4:2:4:	4:	B[5]-3:C-4:H-1:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(B[5]C[5]O[5])(CCHH)(H)2	B[5](C[5]C[5]RuB)(O[5]C[5])(CCHH)	H(CB[5]CH)	C(B[5]C[5]O[5])(CCHH)(H)2	B[5](C[5]C[5]RuB)(O[5]C[5])(CCHH){1|B<5>,1|C<3>,1|O<2>}	H(CB[5]CH)	108.0910	2.441	2	108.0910	5.958	2	108.0910	5.958	2	108.0910	5.958	2	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:3:1:	2:2:4:	4:	B[5]-3:C-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH)	H(CB[5]CC)	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH){2|C<4>,2|H<1>}	H(CB[5]CC)	107.7925	1.125	2	107.6115	0.469	4	107.5112	0.402	5	107.4343	0.357	6	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:3:1:	2:2:4:	4:	B[5]-3:C-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH)	H(CB[5]CC)	C(B[5]O[5]2)(CCHH)(CCH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	H(CB[5]CC)	107.4305	0.103	2	107.6115	0.469	4	107.5112	0.402	5	107.4343	0.357	6	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:3:1:	2:2:4:	4:	B[5]-3:C-4:C-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CCHO)(CCH)(H)	B[5](O[5]C[5])2(CCCH)	H(CB[5]CC)	C(B[5]O[5]2)(CCHO)(CCH)(H)	B[5](O[5]C[5])2(CCCH){2|C<4>,2|H<1>}	H(CB[5]CC)	107.1100	0.000	1	107.1100	0.000	1	107.5112	0.402	5	107.4343	0.357	6	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:3:1:	2:2:4:	4:	B[5]-3:C-4:N-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CCCH)(NHS)(H)	B[5](O[5]C[5,6,6])2(CCHN)	H(CB[5]CN)	C(B[5]O[5]2)(CCCH)(NHS)(H)	B[5](O[5]C[5,6,6])2(CCHN){1|H<1>,3|C<4>}	H(CB[5]CN)	107.0500	0.000	1	107.0500	0.000	1	107.0500	0.000	1	107.4343	0.357	6	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:4:1:	2:2:4:	4:	B[5]-3:B-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CBCH)	H(CB[5]BC)	C(B[5]O[5]2)(BC[6a]2C)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CBCH){4|C<4>}	H(CB[5]BC)	106.5790	0.000	1	106.5790	0.000	1	106.5790	0.000	1	108.4610	1.440	9	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:4:1:	2:2:4:	4:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CCCH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH)	H(CB[5]CC)	C(B[5]O[5]2)(CCCH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	H(CB[5]CC)	107.2530	0.000	1	107.2530	0.000	1	108.6962	1.076	8	108.4610	1.440	9	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:4:1:	2:2:4:	4:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CCHH)2(H)	B[5](O[5]C[5])2(CCCH)	H(CB[5]CC)	C(B[5]O[5]2)(CCHH)2(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	H(CB[5]CC)	107.7560	1.041	2	107.7560	1.083	2	108.6962	1.076	8	108.4610	1.440	9	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:4:1:	2:2:4:	4:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH)	H(CB[5]CC)	C(B[5]O[5]2)(CC[5a]CH)(CCHH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	H(CB[5]CC)	109.2257	0.135	3	109.2257	0.018	3	108.6962	1.076	8	108.4610	1.440	9	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:4:1:	2:2:4:	4:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	B[5](O[5]C[5])2(CCCH)	H(CB[5]CC)	C(B[5]O[5]2)(CC[6a]HH)(CHHN)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	H(CB[5]CC)	109.2360	0.000	1	109.2360	0.000	1	108.6962	1.076	8	108.4610	1.440	9	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:4:1:	2:2:4:	4:	B[5]-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	B[5](O[5]C[5])2(CCCH)	H(CB[5]CC)	C(B[5]O[5]2)(CC[6a]HN)(CCHH)(H)	B[5](O[5]C[5])2(CCCH){4|C<4>}	H(CB[5]CC)	109.8920	0.000	1	109.8920	0.000	1	108.6962	1.076	8	108.4610	1.440	9	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	3:4:4:1:	4:2:4:	4:	B[5]-3:C-4:C-4:H-1:	C[5]-4:O[5]-2:C-4:	C-4:	C(B[5]C[5]O[5])(CCHH)2(H)	B[5](C[5]N[5]CH)(O[5]C[5])(CCCH)	H(CB[5]CC)	C(B[5]C[5]O[5])(CCHH)2(H)	B[5](C[5]N[5]CH)(O[5]C[5])(CCCH){1|C<3>,1|O<1>}	H(CB[5]CC)	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	108.2170	0.000	1	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	4:3:1:1:	2:2:4:	4:	C[4]-4:B[5]-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(C[4]C[6a]C[4]2)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[4]HH)	H(CB[5]C[4]H)	C(C[4]C[6a]C[4]2)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[4]HH){4|C<4>}	H(CB[5]C[4]H)	108.7320	0.000	1	108.7320	0.000	1	108.7320	0.000	1	108.0584	0.171	5	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	4:3:1:1:	2:2:4:	4:	C[5]-4:B[5]-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[5,6]C[5]C)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[5]HH)	H(CB[5]C[5]H)	C(C[5]C[5,6]C[5]C)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[5]HH){4|C<4>}	H(CB[5]C[5]H)	107.8690	0.049	2	107.8690	0.002	2	107.9627	0.028	3	108.0584	0.171	5	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	4:3:1:1:	2:2:4:	4:	C[5]-4:B[5]-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[5,6]C[5]H)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[5]HH)	H(CB[5]C[5]H)	C(C[5]C[5,6]C[5]H)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[5]HH){4|C<4>}	H(CB[5]C[5]H)	108.1500	0.000	1	108.1500	0.000	1	107.9627	0.028	3	108.0584	0.171	5	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	4:3:1:1:	2:2:4:	4:	C[6]-4:B[5]-3:H-1:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(C[6]C[6]2H)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[6]HH)	H(CB[5]C[6]H)	C(C[6]C[6]2H)(B[5]O[5]2)(H)2	B[5](O[5]C[5])2(CC[6]HH){4|C<4>}	H(CB[5]C[6]H)	107.6720	0.000	1	107.6720	0.000	1	107.6720	0.000	1	108.0584	0.171	5	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	4:3:3:1:	2:2:4:	4:	C-4:B[5]-3:B[5]-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	B[5](O[5]C[5])2(CB[5]CH)	H(CB[5]2C)	C(CC[6a]B[5]H)(B[5]O[5]2)2(H)	B[5](O[5]C[5])2(CB[5]CH){4|C<4>}	H(CB[5]2C)	109.1000	0.058	2	109.1000	0.003	2	109.1000	0.003	2	109.1000	0.003	2	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	4:3:4:1:	2:2:4:	4:	C[5]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	B[5](O[5]C[5])2(CC[5]CH)	H(CB[5]C[5]C)	C(C[5]C[5]2H)(B[5]O[5]2)(CHHO)(H)	B[5](O[5]C[5])2(CC[5]CH){4|C<4>}	H(CB[5]C[5]C)	106.3650	0.000	1	106.3650	0.000	1	106.3650	0.000	1	105.9780	2.313	5	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	4:3:4:1:	2:2:4:	4:	C[6]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	B[5](O[5]C[5])2(CC[6]CH)	H(CB[5]C[6]C)	C(C[6]C[6]2H)(B[5]O[5]2)(CCCH)(H)	B[5](O[5]C[5])2(CC[6]CH){4|C<4>}	H(CB[5]C[6]C)	104.4000	0.000	2	104.4000	0.000	2	105.8812	3.021	4	105.9780	2.313	5	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	4:3:4:1:	2:2:4:	4:	C[6]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH)	H(CB[5]C[6]C)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[5a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH){4|C<4>}	H(CB[5]C[6]C)	107.7410	0.000	1	107.7410	0.000	1	105.8812	3.021	4	105.9780	2.313	5	108.0118	1.219	98	108.0118	1.219	98
490	2	951	0:SP3_SP-NON_SP2	C	B[5]	H	4:3:4:1:	2:2:4:	4:	C[6]-4:B[5]-3:C-4:H-1:	O[5]-2:O[5]-2:C-4:	C-4:	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH)	H(CB[5]C[6]C)	C(C[6]C[6]N[6]H)(B[5]O[5]2)(CC[6a]HH)(H)	B[5](O[5]C[5])2(CC[6]CH){4|C<4>}	H(CB[5]C[6]C)	106.9840	0.000	1	106.9840	0.000	1	105.8812	3.021	4	105.9780	2.313	5	108.0118	1.219	98	108.0118	1.219	98
490	2	956	0:SP3_SP2_SP3	C	B[5]	N	3:4:3:1:	2:2:4:	4:3:1:	B[5]-3:C-4:N-3:H-1:	O[5]-2:O[5]-2:C-4:	C-4:S-3:H-1:	C(B[5]O[5]2)(CCCH)(NHS)(H)	B[5](O[5]C[5,6,6])2(CCHN)	N(CB[5]CH)(SCO)(H)	C(B[5]O[5]2)(CCCH)(NHS)(H)	B[5](O[5]C[5,6,6])2(CCHN){1|H<1>,3|C<4>}	N(CB[5]CH)(SCO)(H)	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1	106.8970	0.000	1
490	3	490	0:SP3_SP2_SP3	C	B[5a]	C	3:4:4:4:	3:3:4:	4:1:1:1:	B[5a]-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-3:C-4:	C-4:H-1:H-1:H-1:	C(B[5a]N[5a]2)(CH3)3	B[5a](N[5a]C[5a,6a]C[6a])2(CC3)	C(CB[5a]CC)(H)3	C(B[5a]N[5a]2)(CH3)3	B[5a](N[5a]C[5a,6a]C[6a])2(CC3){6|C<3>}	C(CB[5a]CC)(H)3	110.9393	0.134	3	110.9393	0.018	3	110.9393	0.018	3	110.9393	0.018	3	110.9393	0.018	3	110.9393	0.018	3
490	3	643	0:SP3_SP2_SP2	C	B[5a]	C[6a]	3:3:1:1:	3:3:4:	3:3:4:	B[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(H)2	B[5a](N[5a]C[5a]C[6a])2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CB[5a]HH)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(H)2	B[5a](N[5a]C[5a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CB[5a]HH){1|C<3>,2|H<1>}	117.1380	0.000	2	117.1380	0.000	2	117.1380	0.000	2	117.1380	0.000	2	117.1380	0.000	2	117.1380	0.000	2
490	3	930	0:SP3_SP2_SP2	C	B[5a]	C	3:3:1:1:	3:3:4:	4:4:3:	B[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:C-4:	C-4:C-4:C-3:	C(B[5a]N[5a]2)(CCC)(H)2	B[5a](N[5a]C[5a]C[6a])2(CCHH)	C(CB[5a]HH)(CH3)(CCC)	C(B[5a]N[5a]2)(CCC)(H)2	B[5a](N[5a]C[5a]C[6a])2(CCHH){2|H<1>,4|C<3>}	C(CB[5a]HH)(CH3)(CCC)	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1	113.3720	0.000	1
490	3	951	0:SP3_SP-NON_SP2	C	B[5a]	H	3:1:1:1:	3:3:4:	4:	B[5a]-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:C-4:	C-4:	C(B[5a]N[5a]2)(H)3	B[5a](N[5a]C[5a]C[6a])2(CH3)	H(CB[5a]HH)	C(B[5a]N[5a]2)(H)3	B[5a](N[5a]C[5a]C[6a])2(CH3){2|H<1>,4|C<3>}	H(CB[5a]HH)	109.4910	0.011	6	109.4910	0.000	6	109.4910	0.000	6	109.4910	0.000	6	108.6684	0.801	12	108.6684	0.801	12
490	3	951	0:SP3_SP-NON_SP2	C	B[5a]	H	3:3:1:1:	3:3:4:	4:	B[5a]-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-3:C-4:	C-4:	C(B[5a]N[5a]2)(CCC)(H)2	B[5a](N[5a]C[5a]C[6a])2(CCHH)	H(CB[5a]CH)	C(B[5a]N[5a]2)(CCC)(H)2	B[5a](N[5a]C[5a]C[6a])2(CCHH){2|H<1>,4|C<3>}	H(CB[5a]CH)	107.4995	0.572	2	107.4995	0.327	2	107.4995	0.327	2	107.8458	0.138	6	108.6684	0.801	12	108.6684	0.801	12
490	3	951	0:SP3_SP-NON_SP2	C	B[5a]	H	3:3:1:1:	3:3:4:	4:	B[5a]-3:C[6a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:C-4:	C-4:	C(B[5a]N[5a]2)(C[6a]C[6a]2)(H)2	B[5a](N[5a]C[5a]C[6a])2(CC[6a]HH)	H(CB[5a]C[6a]H)	C(B[5a]N[5a]2)(C[6a]C[6a]2)(H)2	B[5a](N[5a]C[5a]C[6a])2(CC[6a]HH){2|H<1>,4|C<3>}	H(CB[5a]C[6a]H)	108.0190	0.023	4	108.0190	0.001	4	108.0190	0.001	4	107.8458	0.138	6	108.6684	0.801	12	108.6684	0.801	12
490	10	490	0:SP3_SP3_SPD6	C	P	C	6:4:1:1:	3:4:1:1:1:1:	4:1:1:1:	P-6:C-4:F-1:F-1:	C[5]-3:C-4:F-1:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(PC[5]F4)(CF3)(F)2	P(C[5]N[5]2)(CCFF)(F)4	C(CFFP)(F)3	C(PC[5]F4)(CF3)(F)2	P(C[5]N[5]2)(CCFF)(F)4	C(CFFP)(F)3	118.9910	0.294	2	118.9910	0.087	2	118.9910	0.087	2	118.9910	0.087	2	119.4885	1.290	6	119.4885	1.290	6
490	10	490	0:SP3_SP3_SPD6	C	P	C	6:4:1:1:	4:3:1:1:1:1:	4:1:1:1:	P-6:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(PCF4)(CF3)(F)2	P(CCFF)(CNN)(F)4	C(CFFP)(F)3	C(PCF4)(CF3)(F)2	P(CCFF)(CNN)(F)4	C(CFFP)(F)3	119.2365	0.596	2	119.2365	0.355	2	119.2365	0.355	2	119.2365	0.355	2	119.4885	1.290	6	119.4885	1.290	6
490	10	490	0:SP3_SP3_SPD6	C	P	C	6:4:1:1:	4:4:4:1:1:1:	4:1:1:1:	P-6:C-4:F-1:F-1:	C-4:C-4:C-4:F-1:F-1:F-1:	C-4:F-1:F-1:F-1:	C(PCCF3)(CF3)(F)2	P(CCFF)3(F)3	C(CFFP)(F)3	C(PCCF3)(CF3)(F)2	P(CCFF)3(F)3	C(CFFP)(F)3	120.2380	2.065	2	120.2380	4.263	2	120.2380	4.263	2	120.2380	4.263	2	119.4885	1.290	6	119.4885	1.290	6
490	10	818	0:SP3_SP2_SPD6	C	P	C[5]	3:6:1:1:	4:1:1:1:1:1:	3:3:4:	C[5]-3:P-6:H-1:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	N[5]-3:N[5]-3:C-4:	C(C[5]N[5]2)(PF5)(H)2	P(CC[5]HH)(F)5	C[5](N[5]C[5]C)2(CHHP)	C(C[5]N[5]2)(PF5)(H)2	P(CC[5]HH)(F)5	C[5](N[5]C[5]C)2(CHHP){2|H<1>}	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1	117.0620	0.000	1
490	10	830	0:SP3_SP-NON_SPD6	C	P	F	6:1:1:1:	3:4:1:1:1:1:	4:	P-6:F-1:F-1:F-1:	C[5]-3:C-4:F-1:F-1:F-1:F-1:	C-4:	C(PC[5]F4)(F)3	P(C[5]N[5]2)(CF3)(F)4	F(CFFP)	C(PC[5]F4)(F)3	P(C[5]N[5]2)(CF3)(F)4	F(CFFP)	113.6145	0.186	2	113.6145	0.035	2	113.6145	0.035	2	113.6145	0.035	2	111.2318	2.885	13	111.2318	2.885	13
490	10	830	0:SP3_SP-NON_SPD6	C	P	F	6:4:1:1:	3:4:1:1:1:1:	4:	P-6:C-4:F-1:F-1:	C[5]-3:C-4:F-1:F-1:F-1:F-1:	C-4:	C(PC[5]F4)(CF3)(F)2	P(C[5]N[5]2)(CCFF)(F)4	F(CCFP)	C(PC[5]F4)(CF3)(F)2	P(C[5]N[5]2)(CCFF)(F)4	F(CCFP)	110.8205	0.462	4	110.8205	0.213	4	110.8205	0.213	4	110.8205	0.213	4	111.2318	2.885	13	111.2318	2.885	13
490	10	830	0:SP3_SP-NON_SPD6	C	P	F	6:4:1:1:	4:3:1:1:1:1:	4:	P-6:C-4:F-1:F-1:	C-4:C-3:F-1:F-1:F-1:F-1:	C-4:	C(PCF4)(CF3)(F)2	P(CCFF)(CNN)(F)4	F(CCFP)	C(PCF4)(CF3)(F)2	P(CCFF)(CNN)(F)4	F(CCFP)	110.8552	0.979	4	110.8552	0.959	4	110.8552	0.959	4	110.8552	0.959	4	111.2318	2.885	13	111.2318	2.885	13
490	10	830	0:SP3_SP-NON_SPD6	C	P	F	6:4:1:1:	4:4:4:1:1:1:	4:	P-6:C-4:F-1:F-1:	C-4:C-4:C-4:F-1:F-1:F-1:	C-4:	C(PCCF3)(CF3)(F)2	P(CCFF)3(F)3	F(CCFP)	C(PCCF3)(CF3)(F)2	P(CCFF)3(F)3	F(CCFP)	110.6937	2.966	3	110.6937	8.798	3	110.6937	8.798	3	110.6937	8.798	3	111.2318	2.885	13	111.2318	2.885	13
490	10	951	0:SP3_SP-NON_SPD6	C	P	H	3:6:1:1:	4:1:1:1:1:1:	4:	C[5]-3:P-6:H-1:H-1:	C-4:F-1:F-1:F-1:F-1:F-1:	C-4:	C(C[5]N[5]2)(PF5)(H)2	P(CC[5]HH)(F)5	H(CC[5]HP)	C(C[5]N[5]2)(PF5)(H)2	P(CC[5]HH)(F)5	H(CC[5]HP)	108.0230	0.048	2	108.0230	0.002	2	108.0230	0.002	2	108.0230	0.002	2	108.8994	0.641	5	108.8994	0.641	5
490	10	951	0:SP3_SP-NON_SPD6	C	P	H	6:1:1:1:	3:4:1:1:1:1:	4:	P-6:H-1:H-1:H-1:	C[5]-3:C-4:F-1:F-1:F-1:F-1:	C-4:	C(PC[5]F4)(H)3	P(C[5]N[5]2)(CH3)(F)4	H(CHHP)	C(PC[5]F4)(H)3	P(C[5]N[5]2)(CH3)(F)4	H(CHHP)	109.4837	0.022	3	109.4837	0.000	3	109.4837	0.000	3	109.4837	0.000	3	108.8994	0.641	5	108.8994	0.641	5
490	14	490	0:SP3_SP3_SP3	C	P[6]	C	3:4:4:1:	2:2:4:	4:1:1:1:	P[6]-3:C-4:C-4:H-1:	Se[6]-2:Se[6]-2:C-4:	C-4:H-1:H-1:H-1:	C(P[6]Se[6]2)(CH3)2(H)	P[6](Se[6]C[6,6a])2(CCCH)	C(CP[6]CH)(H)3	C(P[6]Se[6]2)(CH3)2(H)	P[6](Se[6]C[6,6a])2(CCCH){3|C<3>}	C(CP[6]CH)(H)3	108.7580	0.420	2	108.7580	0.176	2	108.7580	0.176	2	108.7580	0.176	2	109.4240	22.668	26	109.4240	22.668	26
490	14	490	0:SP3_SP3_SP3	C	P[6]	C	3:4:4:4:	2:2:4:	4:1:1:1:	P[6]-3:C-4:C-4:C-4:	Se[6]-2:Se[6]-2:C-4:	C-4:H-1:H-1:H-1:	C(P[6]Se[6]2)(CH3)3	P[6](Se[6]C[6,6a])2(CC3)	C(CP[6]CC)(H)3	C(P[6]Se[6]2)(CH3)3	P[6](Se[6]C[6,6a])2(CC3){3|C<3>}	C(CP[6]CC)(H)3	108.6057	5.890	3	108.6057	34.688	3	108.6057	34.688	3	108.6057	34.688	3	109.4240	22.668	26	109.4240	22.668	26
490	14	490	0:SP3_SP3_SP3	C	P[6]	C	3:4:4:4:	4:3:4:	4:1:1:1:	P[6]-3:C-4:C-4:C-4:	C[6]-4:P[6]-3:C-4:	C-4:H-1:H-1:H-1:	C(P[6]C[6]P[6])(CH3)3	P[6](C[6]P[6]HH)(P[6]C[6]C)(CC3)	C(CP[6]CC)(H)3	C(P[6]C[6]P[6])(CH3)3	P[6](C[6]P[6]HH)(P[6]C[6]C)(CC3){1|C<4>,1|P<3>,2|H<1>}	C(CP[6]CC)(H)3	109.6067	5.014	6	109.6067	25.141	6	109.6067	25.141	6	109.6067	25.141	6	109.4240	22.668	26	109.4240	22.668	26
490	14	490	0:SP3_SP3_SP3	C	P[6]	C	3:4:4:4:	4:4:4:	4:1:1:1:	P[6]-3:C-4:C-4:C-4:	C[6]-4:C[6]-4:C-4:	C-4:H-1:H-1:H-1:	C(P[6]C[6]2)(CH3)3	P[6](C[6]C[6a]C[6]H)2(CC3)	C(CP[6]CC)(H)3	C(P[6]C[6]2)(CH3)3	P[6](C[6]C[6a]C[6]H)2(CC3){4|H<1>,5|C<3>}	C(CP[6]CC)(H)3	110.4143	3.529	3	110.4143	12.452	3	110.4143	12.452	3	109.6035	26.275	15	109.4240	22.668	26	109.4240	22.668	26
490	14	490	0:SP3_SP3_SP3	C	P[6]	C	3:4:4:4:	4:4:4:	4:1:1:1:	P[6]-3:C-4:C-4:C-4:	C[6]-4:P[6]-4:C-4:	C-4:H-1:H-1:H-1:	C(P[6]C[6]P[6])(CH3)3	P[6](C[6]P[6]HH)(P[6]C[6]CS)(CC3)	C(CP[6]CC)(H)3	C(P[6]C[6]P[6])(CH3)3	P[6](C[6]P[6]HH)(P[6]C[6]CS)(CC3){1|C<4>,1|P<3>,1|S<1>,2|H<1>}	C(CP[6]CC)(H)3	109.4288	5.783	6	109.4288	33.443	6	109.4288	33.443	6	109.6035	26.275	15	109.4240	22.668	26	109.4240	22.668	26
490	14	490	0:SP3_SP3_SP3	C	P[6]	C	3:4:4:4:	4:4:4:	4:1:1:1:	P[6]-3:C-4:C-4:C-4:	P[6]-4:C[6]-4:C-4:	C-4:H-1:H-1:H-1:	C(P[6]C[6]P[6])(CH3)3	P[6](P[6]C[6]SeC)(C[6]P[6]HH)(CC3)	C(CP[6]CC)(H)3	C(P[6]C[6]P[6])(CH3)3	P[6](P[6]C[6]SeC)(C[6]P[6]HH)(CC3){1|Se<1>,1|C<4>,1|P<3>,2|H<1>}	C(CP[6]CC)(H)3	109.3727	5.887	6	109.3727	34.652	6	109.3727	34.652	6	109.6035	26.275	15	109.4240	22.668	26	109.4240	22.668	26
490	14	880	0:SP3_SP3_SP3	C	P[6]	Si	3:4:4:1:	3:3:4:	4:4:4:4:	P[6]-3:Si-4:Si-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C-4:C-4:C-4:	C(P[6]C[6]2)(SiC3)2(H)	P[6](C[6]C[6a]N[6])2(CSi2H)	Si(CP[6]SiH)(CH3)3	C(P[6]C[6]2)(SiC3)2(H)	P[6](C[6]C[6a]N[6])2(CSi2H){1|P<4>,4|C<3>}	Si(CP[6]SiH)(CH3)3	117.6635	9.452	2	117.6635	89.338	2	117.6635	89.338	2	117.6635	89.338	2	117.6635	89.338	2	117.6635	89.338	2
490	14	892	0:SP3_SP3_SP3	C	P[6]	N	3:4:1:1:	4:4:4:	4:4:1:1:	P[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:C-4:H-1:H-1:	C(P[6]C[6]2)(NCHH)(H)2	P[6](C[6]N[6]HH)2(CHHN)	N(CC[6a]HH)(CP[6]HH)(H)2	C(P[6]C[6]2)(NCHH)(H)2	P[6](C[6]N[6]HH)2(CHHN){3|C<4>}	N(CC[6a]HH)(CP[6]HH)(H)2	116.0770	0.891	2	116.0770	0.794	2	116.0770	0.794	2	116.0770	0.794	2	116.0770	0.794	2	116.0770	0.794	2
490	14	951	0:SP3_SP-NON_SP3	C	P[6]	H	3:4:1:1:	4:4:4:	4:	P[6]-3:N-4:H-1:H-1:	C[6]-4:C[6]-4:C-4:	C-4:	C(P[6]C[6]2)(NCHH)(H)2	P[6](C[6]N[6]HH)2(CHHN)	H(CP[6]HN)	C(P[6]C[6]2)(NCHH)(H)2	P[6](C[6]N[6]HH)2(CHHN){3|C<4>}	H(CP[6]HN)	108.1997	0.169	3	108.1997	0.029	3	108.1997	0.029	3	108.1997	0.029	3	105.8435	36.834	5	105.8435	36.834	5
490	14	951	0:SP3_SP-NON_SP3	C	P[6]	H	3:4:4:1:	2:2:4:	4:	P[6]-3:C-4:C-4:H-1:	Se[6]-2:Se[6]-2:C-4:	C-4:	C(P[6]Se[6]2)(CH3)2(H)	P[6](Se[6]C[6,6a])2(CCCH)	H(CP[6]CC)	C(P[6]Se[6]2)(CH3)2(H)	P[6](Se[6]C[6,6a])2(CCCH){3|C<3>}	H(CP[6]CC)	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	109.5770	0.000	1	105.8435	36.834	5	105.8435	36.834	5
490	14	951	0:SP3_SP-NON_SP3	C	P[6]	H	3:4:4:1:	3:3:4:	4:	P[6]-3:Si-4:Si-4:H-1:	C[6]-3:C[6]-3:C-4:	C-4:	C(P[6]C[6]2)(SiC3)2(H)	P[6](C[6]C[6a]N[6])2(CSi2H)	H(CP[6]Si2)	C(P[6]C[6]2)(SiC3)2(H)	P[6](C[6]C[6a]N[6])2(CSi2H){1|P<4>,4|C<3>}	H(CP[6]Si2)	95.0415	0.000	1	95.0415	0.000	1	95.0415	0.000	1	95.0415	0.000	1	105.8435	36.834	5	105.8435	36.834	5
490	18	490	0:SP3_SP3_SPD6	C	B[4x3,5,4x6]	C	6:4:1:1:	6:6:6:2:2:4:	4:4:1:1:	B[4x3,5,4x6]-6:C-4:H-1:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:C-4:	C-4:C-4:H-1:H-1:	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCHH)	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCHH){2|B<6>,2|H<2>,4|H<1>}	C(CB[4x3,5,4x6]HH)(CCHH)(H)2	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	112.2000	0.000	1	113.0841	3.990	12
490	18	490	0:SP3_SP3_SPD6	C	B[5x3,5x5,14x6]	C	6:4:4:4:	6:6:6:6:6:4:	4:1:1:1:	B[5x3,5x5,14x6]-6:C-4:C-4:C-4:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[5x3,4x5,19x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2B[5x3,5x5,14x6])(CH3)3	B[5x3,5x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)2(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]H)2(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2H)(CC3)	C(CB[5x3,5x5,14x6]CC)(H)3	C(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2B[5x3,5x5,14x6])(CH3)3	B[5x3,5x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)2(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]H)2(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2H)(CC3){1|C<3>,1|C<5>,4|H<1>}	C(CB[5x3,5x5,14x6]CC)(H)3	111.4047	0.411	3	111.4047	0.169	3	111.4047	0.169	3	111.4047	0.169	3	111.4047	0.169	3	113.0841	3.990	12
490	18	490	0:SP3_SP3_SPD6	C	B[5x3,5x5,20x6]	C	6:2:4:1:	6:6:6:6:6:4:	4:4:1:1:	B[5x3,5x5,20x6]-6:S-2:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C-4:H-1:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHS)	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHS){1|B<6>,5|H<1>}	C(CB[5x3,5x5,20x6]HS)(CCHH)(H)2	117.2690	0.000	1	117.2690	0.000	1	117.2690	0.000	1	117.2690	0.000	1	113.8244	4.276	8	113.0841	3.990	12
490	18	490	0:SP3_SP3_SPD6	C	B[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:3:1:1:	B[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:H-1:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	114.5200	0.000	1	114.5200	0.000	1	114.9717	0.325	3	114.9717	0.325	3	113.8244	4.276	8	113.0841	3.990	12
490	18	490	0:SP3_SP3_SPD6	C	B[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:3:1:1:	B[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:H-1:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,1|C<3>,4|H<1>}	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	114.7830	0.000	1	115.1975	0.344	2	114.9717	0.325	3	114.9717	0.325	3	113.8244	4.276	8	113.0841	3.990	12
490	18	490	0:SP3_SP3_SPD6	C	B[5x3,5x5,20x6]	C	6:4:1:1:	6:6:6:6:6:4:	4:3:1:1:	B[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:H-1:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,1|C<4>,4|H<1>}	C(CB[5x3,5x5,20x6]HH)(C[6a]C[6a]2)(H)2	115.6120	0.000	1	115.1975	0.344	2	114.9717	0.325	3	114.9717	0.325	3	113.8244	4.276	8	113.0841	3.990	12
490	18	490	0:SP3_SP3_SPD6	C	B[5x3,5x5,20x6]	C	6:4:4:1:	6:6:6:6:6:4:	4:1:1:1:	B[5x3,5x5,20x6]-6:C-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:H-1:H-1:H-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)2(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCCH)	C(CB[5x3,5x5,20x6]CH)(H)3	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)2(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCCH){1|B<6>,1|C<4>,4|H<1>}	C(CB[5x3,5x5,20x6]CH)(H)3	112.1028	0.732	4	112.1028	0.536	4	112.1028	0.536	4	112.1028	0.536	4	113.8244	4.276	8	113.0841	3.990	12
490	18	643	0:SP3_SP2_SPD6	C	B[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	4:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH)	C[6a](CB[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH){1|C<6>,5|H<1>}	C[6a](CB[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	113.5790	0.000	1	113.5790	0.000	1	114.7730	1.181	3	114.7730	1.181	3	114.7730	1.181	3	113.5029	3.091	9
490	18	643	0:SP3_SP2_SPD6	C	B[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	4:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(CC[6a]HH)	C[6a](CB[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(CC[6a]HH){1|B<6>,1|S<3>,4|H<1>}	C[6a](CB[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.0360	0.000	1	115.0360	0.000	1	114.7730	1.181	3	114.7730	1.181	3	114.7730	1.181	3	113.5029	3.091	9
490	18	643	0:SP3_SP2_SPD6	C	B[5x3,5x5,20x6]	C[6a]	6:3:1:1:	6:6:6:6:6:4:	4:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:C[6a]-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CC[6a]HH)	C[6a](CB[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CC[6a]HH){1|B<6>,2|S<3>,3|H<1>}	C[6a](CB[5x3,5x5,20x6]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	115.7040	0.000	1	115.7040	0.000	1	114.7730	1.181	3	114.7730	1.181	3	114.7730	1.181	3	113.5029	3.091	9
490	18	643	0:SP3_SP2_SPD6	C	B[6x3,4,4]	C[6a]	6:3:1:1:	6:6:5:5:3:4:	4:3:3:	B[6x3,4,4]-6:C[6a]-3:H-1:H-1:	B[6x3,4,4]-6:B[6x3,4,4]-6:B[4x3,4,4]-5:B[4x3,4,4]-5:H[3x3]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]2H[3x3])(C[6a]C[6a]2)(H)2	B[6x3,4,4](B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]H[3x3]C)2(B[4x3,4,4]B[4x3,4,4]2B[6x3,4,4]C)2(H[3x3]B[6x3,4,4]2)(CC[6a]HH)	C[6a](CB[6x3,4,4]HH)(C[6a]C[6a]H)2	C(B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]2H[3x3])(C[6a]C[6a]2)(H)2	B[6x3,4,4](B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]H[3x3]C)2(B[4x3,4,4]B[4x3,4,4]2B[6x3,4,4]C)2(H[3x3]B[6x3,4,4]2)(CC[6a]HH){1|C<4>}	C[6a](CB[6x3,4,4]HH)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.8678	1.738	6	112.8678	3.022	6	112.8678	3.022	6	112.8678	3.022	6	112.8678	3.022	6	113.5029	3.091	9
490	18	909	0:SP3_SP2_SPD6	C	B[5x3,5x5,20x6]	S	6:2:4:1:	6:6:6:6:6:4:	4:3:	B[5x3,5x5,20x6]-6:S-2:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:C[6a]-3:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHS)	S(CB[5x3,5x5,20x6]CH)(C[6a]C[6a]2)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHS){1|B<6>,5|H<1>}	S(CB[5x3,5x5,20x6]CH)(C[6a]C[6a]2)	105.6560	0.000	1	105.6560	0.000	1	105.6560	0.000	1	105.6560	0.000	1	105.6560	0.000	1	105.6560	0.000	1
490	18	951	0:SP3_SP-NON_SPD6	C	B[4x3,5,4x6]	H	6:4:1:1:	6:6:6:2:2:4:	4:	B[4x3,5,4x6]-6:C-4:H-1:H-1:	B[4x3,5,5,7x6]-6:B[4x3,5,5,7x6]-6:B[5x3,5,5,4x6]-6:H[3]-2:H[3]-2:C-4:	C-4:	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCHH)	H(CB[4x3,5,4x6]CH)	C(B[4x3,5,4x6]B[4x3,5,5,7x6]2B[5x3,5,5,4x6]H[3]2)(CCHH)(H)2	B[4x3,5,4x6](B[4x3,5,5,7x6]B[4x3,5,5,7x6]B[5x3,3x5,6,6]B[5x3,5,5,4x6]H[3]H)2(B[5x3,5,5,4x6]B[4x3,5,5,7x6]2B[5x3,3x5,6,6]2H)(H[3]B[4x3,5,5,7x6])2(CCHH){2|B<6>,2|H<2>,4|H<1>}	H(CB[4x3,5,4x6]CH)	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.1380	0.000	1	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,3x5,11x6]	H	6:1:1:1:	6:6:5:5:6:4:	4:	B[5x3,3x5,11x6]-6:H-1:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:B[5x3,5x5,5x6]-6:C-4:	C-4:	C(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6])(H)3	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]2B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]S)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(CH3)	H(CB[5x3,3x5,11x6]HH)	C(B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6])(H)3	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]2B[5x3,5x5,5x6]H)(B[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]S)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(CH3){1|B<6>,1|H<2>,4|H<1>}	H(CB[5x3,3x5,11x6]HH)	109.4960	0.009	3	109.4960	0.000	3	109.4960	0.000	3	109.4856	0.000	5	109.4856	0.000	5	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,3x5,11x6]	H	6:1:1:1:	6:6:5:5:6:4:	4:	B[5x3,3x5,11x6]-6:H-1:H-1:H-1:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:C[3x3,3x5,12x6]-5:C[3x3,3x5,12x6]-5:B[5x3,5x5,5x6]-6:C-4:	C-4:	C(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(H)3	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(CH3)	H(CB[5x3,3x5,11x6]HH)	C(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]2B[5x3,5x5,5x6])(H)3	B[5x3,3x5,11x6](B[5x3,3x5,11x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]C[3x3,3x5,12x6]H)(B[5x3,5x5,5x6]B[5x3,3x5,11x6]4H)(CH3){1|B<6>,1|H<2>,1|S<3>,3|H<1>}	H(CB[5x3,3x5,11x6]HH)	109.4700	0.023	2	109.4700	0.001	2	109.4700	0.001	2	109.4856	0.000	5	109.4856	0.000	5	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,4,9x5,6,6]	H	6:1:1:1:	6:6:6:6:5:4:	4:	B[5x3,4,9x5,6,6]-6:H-1:H-1:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[4x3,4x5,4x6]-5:C-4:	C-4:	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4C[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]B[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]I)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(CH3)	H(CB[5x3,4,9x5,6,6]HH)	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4C[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]B[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]I)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(CH3){1|H<1>,3|C<4>}	H(CB[5x3,4,9x5,6,6]HH)	109.4818	0.032	10	109.4818	0.001	10	109.4643	0.002	22	109.4633	0.002	60	109.4633	0.002	60	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,4,9x5,6,6]	H	6:1:1:1:	6:6:6:6:5:4:	4:	B[5x3,4,9x5,6,6]-6:H-1:H-1:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[4x3,4x5,4x6]-5:C-4:	C-4:	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4C[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]B[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]O)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(CH3)	H(CB[5x3,4,9x5,6,6]HH)	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4C[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]B[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]O)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(CH3){1|H<1>,3|C<4>}	H(CB[5x3,4,9x5,6,6]HH)	109.4497	0.041	12	109.4497	0.002	12	109.4643	0.002	22	109.4633	0.002	60	109.4633	0.002	60	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,4,9x5,6,6]	H	6:1:1:1:	6:6:6:6:5:4:	4:	B[5x3,4,9x5,6,6]-6:H-1:H-1:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:C-4:	C-4:	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]B[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]I)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C)(CH3)	H(CB[5x3,4,9x5,6,6]HH)	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]B[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]I)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C)(CH3){1|H<1>,3|C<4>}	H(CB[5x3,4,9x5,6,6]HH)	109.4592	0.037	10	109.4592	0.001	10	109.4730	0.002	18	109.4633	0.002	60	109.4633	0.002	60	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,4,9x5,6,6]	H	6:1:1:1:	6:6:6:6:5:4:	4:	B[5x3,4,9x5,6,6]-6:H-1:H-1:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:B[4x3,4x5,4x6]-5:C-4:	C-4:	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]B[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]O)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C)(CH3)	H(CB[5x3,4,9x5,6,6]HH)	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]B[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]O)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)(B[4x3,4x5,4x6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C)(CH3){1|H<1>,3|C<4>}	H(CB[5x3,4,9x5,6,6]HH)	109.4903	0.040	8	109.4903	0.002	8	109.4730	0.002	18	109.4633	0.002	60	109.4633	0.002	60	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,4,9x5,6,6]	H	6:1:1:1:	6:6:6:6:5:4:	4:	B[5x3,4,9x5,6,6]-6:H-1:H-1:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:C[4x3,4x5,4x6]-5:C-4:	C-4:	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]C[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]B[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(CH3)	H(CB[5x3,4,9x5,6,6]HH)	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]C[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]B[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(CH3){1|I<1>,3|C<4>}	H(CB[5x3,4,9x5,6,6]HH)	109.4475	0.027	8	109.4535	0.001	20	109.4535	0.001	20	109.4633	0.002	60	109.4633	0.002	60	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,4,9x5,6,6]	H	6:1:1:1:	6:6:6:6:5:4:	4:	B[5x3,4,9x5,6,6]-6:H-1:H-1:H-1:	B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:B[5x3,4,9x5,6,6]-6:C[5x3,4,9x5,6,6]-6:C[4x3,4x5,4x6]-5:C-4:	C-4:	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]C[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]B[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(CH3)	H(CB[5x3,4,9x5,6,6]HH)	C(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[5x3,4,9x5,6,6]C[4x3,4x5,4x6])(H)3	B[5x3,4,9x5,6,6](B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]B[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]2C[5x3,4,9x5,6,6]C[4x3,4x5,4x6]C)(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3C[4x3,4x5,4x6]C)(C[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]3B[4x3,4x5,4x6]H)(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]3H)(CH3){1|O<2>,3|C<4>}	H(CB[5x3,4,9x5,6,6]HH)	109.4575	0.045	12	109.4535	0.001	20	109.4535	0.001	20	109.4633	0.002	60	109.4633	0.002	60	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,14x6]	H	6:1:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,14x6]-6:H-1:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[5x3,4x5,19x6]-6:B[5x3,4x5,19x6]-6:B[5x3,5x5,14x6]-6:C-4:	C-4:	C(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2B[5x3,5x5,14x6])(H)3	B[5x3,5x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)2(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]F)2(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2F)(CH3)	H(CB[5x3,5x5,14x6]HH)	C(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2B[5x3,5x5,14x6])(H)3	B[5x3,5x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]H)2(B[5x3,4x5,19x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]2B[5x3,5x5,14x6]F)2(B[5x3,5x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]2F)(CH3){1|C<4>,1|C<5>,4|H<1>}	H(CB[5x3,5x5,14x6]HH)	109.5223	0.025	3	109.5223	0.001	3	109.5223	0.001	3	109.5223	0.001	3	109.5223	0.001	3	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:1:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)3	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4F)3(CH3)	H(CB[5x3,5x5,20x6]HH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)3	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4F)3(CH3){1|C<4>,1|C<6>,4|H<1>}	H(CB[5x3,5x5,20x6]HH)	109.4755	0.030	2	109.4755	0.001	2	109.4682	0.001	8	109.4778	0.001	32	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:1:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)3	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CH3)	H(CB[5x3,5x5,20x6]HH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(H)3	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CH3){1|B<6>,5|H<1>}	H(CB[5x3,5x5,20x6]HH)	109.4658	0.034	6	109.4658	0.001	6	109.4682	0.001	8	109.4778	0.001	32	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:1:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)3	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Br)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(CB[5x3,5x5,20x6]HH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)3	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Br)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){1|Br<2>,2|Br<1>,1|B<6>,2|C<4>}	H(CB[5x3,5x5,20x6]HH)	109.4710	0.025	5	109.4803	0.001	22	109.4803	0.001	22	109.4778	0.001	32	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:1:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)3	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Br)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(CB[5x3,5x5,20x6]HH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(H)3	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4Br)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){3|Br<1>,1|B<6>,2|C<4>}	H(CB[5x3,5x5,20x6]HH)	109.4830	0.036	17	109.4803	0.001	22	109.4803	0.001	22	109.4778	0.001	32	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:1:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(H)3	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3)	H(CB[5x3,5x5,20x6]HH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(H)3	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CH3){1|B<6>,1|C<4>,4|H<1>}	H(CB[5x3,5x5,20x6]HH)	109.4895	0.016	2	109.4895	0.000	2	109.4895	0.000	2	109.4778	0.001	32	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:2:4:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:S-2:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHS)	H(CB[5x3,5x5,20x6]CS)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(SC[6a])(CCHH)(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHS){1|B<6>,5|H<1>}	H(CB[5x3,5x5,20x6]CS)	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	107.2860	0.000	1	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:3:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH)	H(CB[5x3,5x5,20x6]C[6a]H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(CC[6a]HH){1|C<6>,5|H<1>}	H(CB[5x3,5x5,20x6]C[6a]H)	108.8555	0.036	2	108.8555	0.001	2	108.5695	0.054	6	108.5695	0.054	6	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:3:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(CC[6a]HH)	H(CB[5x3,5x5,20x6]C[6a]H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4S)(CC[6a]HH){1|B<6>,1|S<3>,4|H<1>}	H(CB[5x3,5x5,20x6]C[6a]H)	108.4955	0.018	2	108.4955	0.000	2	108.5695	0.054	6	108.5695	0.054	6	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:3:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:C[6a]-3:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CC[6a]HH)	H(CB[5x3,5x5,20x6]C[6a]H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)5(CC[6a]HH){1|B<6>,2|S<3>,3|H<1>}	H(CB[5x3,5x5,20x6]C[6a]H)	108.3575	0.042	2	108.3575	0.002	2	108.5695	0.054	6	108.5695	0.054	6	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	H(CB[5x3,5x5,20x6]CH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	H(CB[5x3,5x5,20x6]CH)	108.6070	0.000	1	108.6070	0.000	1	108.4800	0.029	5	108.4800	0.029	5	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	H(CB[5x3,5x5,20x6]CH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,1|C<3>,4|H<1>}	H(CB[5x3,5x5,20x6]CH)	108.6005	0.035	2	108.4483	0.032	4	108.4800	0.029	5	108.4800	0.029	5	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:4:1:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:C-4:H-1:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH)	H(CB[5x3,5x5,20x6]CH)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]HH)(H)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C)(CCHH){1|B<6>,1|C<4>,4|H<1>}	H(CB[5x3,5x5,20x6]CH)	108.2960	0.044	2	108.4483	0.032	4	108.4800	0.029	5	108.4800	0.029	5	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[5x3,5x5,20x6]	H	6:4:4:1:	6:6:6:6:6:4:	4:	B[5x3,5x5,20x6]-6:C-4:C-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C-4:	C-4:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)2(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCCH)	H(CB[5x3,5x5,20x6]CC)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CH3)2(H)	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(CCCH){1|B<6>,1|C<4>,4|H<1>}	H(CB[5x3,5x5,20x6]CC)	107.2000	0.117	2	107.2000	0.014	2	107.2000	0.014	2	107.2000	0.014	2	109.1042	0.425	46	109.2896	0.202	127
490	18	951	0:SP3_SP-NON_SPD6	C	B[6x3,4,4]	H	6:3:1:1:	6:6:5:5:3:4:	4:	B[6x3,4,4]-6:C[6a]-3:H-1:H-1:	B[6x3,4,4]-6:B[6x3,4,4]-6:B[4x3,4,4]-5:B[4x3,4,4]-5:H[3x3]-3:C-4:	C-4:	C(B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]2H[3x3])(C[6a]C[6a]2)(H)2	B[6x3,4,4](B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]H[3x3]C)2(B[4x3,4,4]B[4x3,4,4]2B[6x3,4,4]C)2(H[3x3]B[6x3,4,4]2)(CC[6a]HH)	H(CB[6x3,4,4]C[6a]H)	C(B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]2H[3x3])(C[6a]C[6a]2)(H)2	B[6x3,4,4](B[6x3,4,4]B[4x3,4,4]2B[6x3,4,4]H[3x3]C)2(B[4x3,4,4]B[4x3,4,4]2B[6x3,4,4]C)2(H[3x3]B[6x3,4,4]2)(CC[6a]HH){1|C<4>}	H(CB[6x3,4,4]C[6a]H)	109.0049	0.367	12	109.0049	0.134	12	109.0049	0.134	12	109.0049	0.134	12	109.0049	0.134	12	109.2896	0.202	127
490	58	490	0:SP3_SP3_SP3	C	S[5]	C	3:4:4:1:	3:4:4:	4:1:1:1:	S[5]-3:C-4:C-4:H-1:	C[5,6a]-3:B[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(S[5]C[5,6a]B[5])(CH3)2(H)	S[5](C[5,6a]C[5,6a]C[6a])(B[5]S[5]Br2)(CCCH)	C(CS[5]CH)(H)3	C(S[5]C[5,6a]B[5])(CH3)2(H)	S[5](C[5,6a]C[5,6a]C[6a])(B[5]S[5]Br2)(CCCH){1|H<1>,2|C<3>}	C(CS[5]CH)(H)3	110.7505	5.071	2	110.7505	25.712	2	110.7505	25.712	2	110.7505	25.712	2	108.6426	5.445	30	108.6426	5.445	30
490	58	490	0:SP3_SP3_SP3	C	S[5]	C	3:4:4:1:	6:4:4:	4:1:1:1:	S[5]-3:C-4:C-4:H-1:	In[5,5]-6:C[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(S[5]In[5,5]C[5])(CH3)2(H)	S[5](In[5,5]S[5]3Br2)(C[5]C[5]HH)(CCCH)	C(CS[5]CH)(H)3	C(S[5]In[5,5]C[5])(CH3)2(H)	S[5](In[5,5]S[5]3Br2)(C[5]C[5]HH)(CCCH){2|H<1>,5|C<4>}	C(CS[5]CH)(H)3	108.3743	2.720	8	108.3743	7.396	8	108.2985	5.061	16	108.3521	5.893	20	108.6426	5.445	30	108.6426	5.445	30
490	58	490	0:SP3_SP3_SP3	C	S[5]	C	3:4:4:1:	6:4:4:	4:1:1:1:	S[5]-3:C-4:C-4:H-1:	In[5,5]-6:C[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(S[5]In[5,5]C[5])(CH3)2(H)	S[5](In[5,5]S[5]3Cl2)(C[5]C[5]HH)(CCCH)	C(CS[5]CH)(H)3	C(S[5]In[5,5]C[5])(CH3)2(H)	S[5](In[5,5]S[5]3Cl2)(C[5]C[5]HH)(CCCH){2|H<1>,5|C<4>}	C(CS[5]CH)(H)3	108.2227	1.854	8	108.2227	3.437	8	108.2985	5.061	16	108.3521	5.893	20	108.6426	5.445	30	108.6426	5.445	30
490	58	490	0:SP3_SP3_SP3	C	S[5]	C	3:4:4:1:	6:4:4:	4:1:1:1:	S[5]-3:C-4:C-4:H-1:	Nb[5]-6:C[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(S[5]Nb[5]C[5])(CH3)2(H)	S[5](Nb[5]S[5]Cl4)(C[5]C[5]HH)(CCCH)	C(CS[5]CH)(H)3	C(S[5]Nb[5]C[5])(CH3)2(H)	S[5](Nb[5]S[5]Cl4)(C[5]C[5]HH)(CCCH){1|C<4>,2|H<1>}	C(CS[5]CH)(H)3	108.5665	3.455	4	108.5665	11.936	4	108.5665	11.936	4	108.3521	5.893	20	108.6426	5.445	30	108.6426	5.445	30
490	58	490	0:SP3_SP3_SP3	C	S[5]	C	3:4:4:1:	8:4:4:	4:1:1:1:	S[5]-3:C-4:C-4:H-1:	Nb[5,5]-8:C[5]-4:C-4:	C-4:H-1:H-1:H-1:	C(S[5]Nb[5,5]C[5])(CH3)2(H)	S[5](Nb[5,5]S[5]3F4)(C[5]C[5]HH)(CCCH)	C(CS[5]CH)(H)3	C(S[5]Nb[5,5]C[5])(CH3)2(H)	S[5](Nb[5,5]S[5]3F4)(C[5]C[5]HH)(CCCH){2|H<1>,5|C<4>}	C(CS[5]CH)(H)3	108.8420	1.156	8	108.8420	1.336	8	108.8420	1.336	8	108.8420	1.336	8	108.6426	5.445	30	108.6426	5.445	30
490	58	930	0:SP3_SP2_SP3	C	S[5,6]	C	3:3:1:1:	4:4:4:	4:2:1:	S[5,6]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:	C-4:O-2:O-1:	C(S[5,6]C[5,5,6]C[5,6])(COO)(H)2	S[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(CCHH)	C(CS[5,6]HH)(OH)(O)	C(S[5,6]C[5,5,6]C[5,6])(COO)(H)2	S[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(CCHH){1|C<3>,3|C<4>,5|H<1>}	C(CS[5,6]HH)(OH)(O)	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1	110.2270	0.000	1
490	58	951	0:SP3_SP-NON_SP3	C	S[5,6]	H	3:3:1:1:	4:4:4:	4:	S[5,6]-3:C-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-4:C-4:	C-4:	C(S[5,6]C[5,5,6]C[5,6])(COO)(H)2	S[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(CCHH)	H(CS[5,6]CH)	C(S[5,6]C[5,5,6]C[5,6])(COO)(H)2	S[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]2H)(CCHH){1|C<3>,3|C<4>,5|H<1>}	H(CS[5,6]CH)	109.6100	0.021	2	109.6100	0.000	2	109.6100	0.000	2	109.6100	0.000	2	109.6100	0.000	2	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:1:1:1:	3:3:4:	4:	S[5]-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:C-4:	C-4:	C(S[5]C[5,6a]C[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5])(CH3)	H(CS[5]HH)	C(S[5]C[5,6a]C[5])(H)3	S[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3]C[5])(CH3){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	H(CS[5]HH)	109.4670	0.025	3	109.4670	0.001	3	109.4670	0.001	3	109.4670	0.001	3	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:1:1:1:	4:4:4:	4:	S[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(S[5]C[5]2)(H)3	S[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HS)(CH3)	H(CS[5]HH)	C(S[5]C[5]2)(H)3	S[5](C[5]C[5,6a]HH)(C[5]C[5,6a]HS)(CH3){2|C<3>}	H(CS[5]HH)	109.4613	0.045	3	109.4613	0.002	3	109.4493	0.001	6	109.4493	0.001	6	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:1:1:1:	4:4:4:	4:	S[5]-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-4:	C-4:	C(S[5]C[5]2)(H)3	S[5](C[5]C[5,6a]HH)2(CH3)	H(CS[5]HH)	C(S[5]C[5]2)(H)3	S[5](C[5]C[5,6a]HH)2(CH3){2|C<3>}	H(CS[5]HH)	109.4373	0.030	3	109.4373	0.001	3	109.4493	0.001	6	109.4493	0.001	6	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:1:1:1:	6:4:4:	4:	S[5]-3:H-1:H-1:H-1:	Nb[5]-6:C[5]-4:C-4:	C-4:	C(S[5]Nb[5]C[5])(H)3	S[5](Nb[5]S[5]Cl3O)(C[5]C[5]HH)(CH3)	H(CS[5]HH)	C(S[5]Nb[5]C[5])(H)3	S[5](Nb[5]S[5]Cl3O)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CS[5]HH)	109.4852	0.020	5	109.4852	0.000	5	109.4854	0.000	14	109.4854	0.000	14	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:1:1:1:	6:4:4:	4:	S[5]-3:H-1:H-1:H-1:	Nb[5]-6:C[5]-4:C-4:	C-4:	C(S[5]Nb[5]C[5])(H)3	S[5](Nb[5]S[5]Cl3S)(C[5]C[5]HH)(CH3)	H(CS[5]HH)	C(S[5]Nb[5]C[5])(H)3	S[5](Nb[5]S[5]Cl3S)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CS[5]HH)	109.4805	0.022	4	109.4805	0.000	4	109.4854	0.000	14	109.4854	0.000	14	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:1:1:1:	6:4:4:	4:	S[5]-3:H-1:H-1:H-1:	Nb[5]-6:C[5]-4:C-4:	C-4:	C(S[5]Nb[5]C[5])(H)3	S[5](Nb[5]S[5]Cl4)(C[5]C[5]HH)(CH3)	H(CS[5]HH)	C(S[5]Nb[5]C[5])(H)3	S[5](Nb[5]S[5]Cl4)(C[5]C[5]HH)(CH3){1|C<4>,2|H<1>}	H(CS[5]HH)	109.4896	0.026	5	109.4896	0.001	5	109.4854	0.000	14	109.4854	0.000	14	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:1:1:1:	8:4:4:	4:	S[5]-3:H-1:H-1:H-1:	Nb[5,5]-8:C[5]-4:C-4:	C-4:	C(S[5]Nb[5,5]C[5])(H)3	S[5](Nb[5,5]S[5]3Cl4)(C[5]C[5]HH)(CH3)	H(CS[5]HH)	C(S[5]Nb[5,5]C[5])(H)3	S[5](Nb[5,5]S[5]3Cl4)(C[5]C[5]HH)(CH3){2|H<1>,5|C<4>}	H(CS[5]HH)	109.4692	0.029	6	109.4692	0.001	6	109.4692	0.001	6	109.4692	0.001	6	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:4:4:1:	3:4:4:	4:	S[5]-3:C-4:C-4:H-1:	C[5,6a]-3:B[5]-4:C-4:	C-4:	C(S[5]C[5,6a]B[5])(CH3)2(H)	S[5](C[5,6a]C[5,6a]C[6a])(B[5]S[5]Br2)(CCCH)	H(CS[5]CC)	C(S[5]C[5,6a]B[5])(CH3)2(H)	S[5](C[5,6a]C[5,6a]C[6a])(B[5]S[5]Br2)(CCCH){1|H<1>,2|C<3>}	H(CS[5]CC)	107.4100	0.000	1	107.4100	0.000	1	107.4100	0.000	1	107.4100	0.000	1	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:4:4:1:	6:4:4:	4:	S[5]-3:C-4:C-4:H-1:	In[5,5]-6:C[5]-4:C-4:	C-4:	C(S[5]In[5,5]C[5])(CH3)2(H)	S[5](In[5,5]S[5]3Br2)(C[5]C[5]HH)(CCCH)	H(CS[5]CC)	C(S[5]In[5,5]C[5])(CH3)2(H)	S[5](In[5,5]S[5]3Br2)(C[5]C[5]HH)(CCCH){2|H<1>,5|C<4>}	H(CS[5]CC)	109.3880	0.095	4	109.3880	0.009	4	109.3939	0.130	8	109.3757	0.111	10	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:4:4:1:	6:4:4:	4:	S[5]-3:C-4:C-4:H-1:	In[5,5]-6:C[5]-4:C-4:	C-4:	C(S[5]In[5,5]C[5])(CH3)2(H)	S[5](In[5,5]S[5]3Cl2)(C[5]C[5]HH)(CCCH)	H(CS[5]CC)	C(S[5]In[5,5]C[5])(CH3)2(H)	S[5](In[5,5]S[5]3Cl2)(C[5]C[5]HH)(CCCH){2|H<1>,5|C<4>}	H(CS[5]CC)	109.3998	0.542	4	109.3998	0.294	4	109.3939	0.130	8	109.3757	0.111	10	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:4:4:1:	6:4:4:	4:	S[5]-3:C-4:C-4:H-1:	Nb[5]-6:C[5]-4:C-4:	C-4:	C(S[5]Nb[5]C[5])(CH3)2(H)	S[5](Nb[5]S[5]Cl4)(C[5]C[5]HH)(CCCH)	H(CS[5]CC)	C(S[5]Nb[5]C[5])(CH3)2(H)	S[5](Nb[5]S[5]Cl4)(C[5]C[5]HH)(CCCH){1|C<4>,2|H<1>}	H(CS[5]CC)	109.3030	0.273	2	109.3030	0.074	2	109.3030	0.074	2	109.3757	0.111	10	109.3884	0.132	44	109.3980	0.128	46
490	58	951	0:SP3_SP-NON_SP3	C	S[5]	H	3:4:4:1:	8:4:4:	4:	S[5]-3:C-4:C-4:H-1:	Nb[5,5]-8:C[5]-4:C-4:	C-4:	C(S[5]Nb[5,5]C[5])(CH3)2(H)	S[5](Nb[5,5]S[5]3F4)(C[5]C[5]HH)(CCCH)	H(CS[5]CC)	C(S[5]Nb[5,5]C[5])(CH3)2(H)	S[5](Nb[5,5]S[5]3F4)(C[5]C[5]HH)(CCCH){2|H<1>,5|C<4>}	H(CS[5]CC)	109.3032	0.404	4	109.3032	0.163	4	109.3032	0.163	4	109.3032	0.163	4	109.3884	0.132	44	109.3980	0.128	46
490	74	466	0:SP3_SP2_SP3	C	N[4]	C[6]	4:4:3:1:	4:4:3:	4:2:2:1:	C[5]-4:C[6]-4:N[4]-3:H-1:	C-4:C[4]-4:C[4]-3:	C-4:S[6]-2:S[6]-2:H-1:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O)	C[6](CC[5]N[4]H)(S[6]C[6])2(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O){1|C<4>,1|H<1>}	C[6](CC[5]N[4]H)(S[6]C[6])2(H){1|C<4>,4|H<1>}	110.6580	0.000	1	110.7700	0.025	2	110.7700	0.025	2	110.7700	0.025	2	110.7700	0.025	2	110.7700	0.025	2
490	74	466	0:SP3_SP2_SP3	C	N[4]	C[6]	4:4:3:1:	4:4:3:	4:2:2:1:	C[5]-4:C[6]-4:N[4]-3:H-1:	C-4:C[4]-4:C[4]-3:	C-4:S[6]-2:S[6]-2:H-1:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O)	C[6](CC[5]N[4]H)(S[6]C[6])2(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O){1|H<1>,1|N<3>}	C[6](CC[5]N[4]H)(S[6]C[6])2(H){1|C<4>,4|H<1>}	110.8820	0.000	1	110.7700	0.025	2	110.7700	0.025	2	110.7700	0.025	2	110.7700	0.025	2	110.7700	0.025	2
490	74	474	0:SP3_SP2_SP3	C	N[4]	C[5]	4:4:3:1:	4:4:3:	4:4:2:1:	C[5]-4:C[6]-4:N[4]-3:H-1:	C-4:C[4]-4:C[4]-3:	C[5]-4:C-4:O[5]-2:H-1:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O)	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O){1|C<4>,1|H<1>}	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	113.8320	0.000	1	113.6320	0.080	2	113.6320	0.080	2	113.6320	0.080	2	113.6320	0.080	2	113.6320	0.080	2
490	74	474	0:SP3_SP2_SP3	C	N[4]	C[5]	4:4:3:1:	4:4:3:	4:4:2:1:	C[5]-4:C[6]-4:N[4]-3:H-1:	C-4:C[4]-4:C[4]-3:	C[5]-4:C-4:O[5]-2:H-1:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O)	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H)	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O){1|H<1>,1|N<3>}	C[5](C[5]C[5]O[5]H)(CC[6]N[4]H)(O[5]C[5])(H){1|H<1>,1|O<2>,3|C<4>}	113.4320	0.000	1	113.6320	0.080	2	113.6320	0.080	2	113.6320	0.080	2	113.6320	0.080	2	113.6320	0.080	2
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:3:4:1:	4:3:4:	4:1:1:1:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4,6]CH)(C[4]C[4,6]O)(CC[6a]CH)	C(CC[6a]N[4]H)(H)3	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4,6]CH)(C[4]C[4,6]O)(CC[6a]CH){2|C<3>}	C(CC[6a]N[4]H)(H)3	109.6310	0.000	1	109.6310	0.000	1	110.1538	0.937	5	110.1538	0.937	5	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:3:4:1:	4:3:4:	4:1:1:1:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH)	C(CC[6a]N[4]H)(H)3	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH){1|C<3>,1|H<1>}	C(CC[6a]N[4]H)(H)3	111.7390	0.000	1	111.7390	0.000	1	110.1538	0.937	5	110.1538	0.937	5	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:3:4:1:	4:3:4:	4:1:1:1:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]O)(CC[6a]CH)	C(CC[6a]N[4]H)(H)3	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]O)(CC[6a]CH){1|H<1>,1|O<2>,2|C<3>}	C(CC[6a]N[4]H)(H)3	110.1075	0.128	2	110.1075	0.016	2	110.1538	0.937	5	110.1538	0.937	5	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:3:4:1:	4:3:4:	4:1:1:1:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]CH)	C(CC[6a]N[4]H)(H)3	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]CH){1|H<1>,3|C<3>}	C(CC[6a]N[4]H)(H)3	109.1840	0.000	1	109.1840	0.000	1	110.1538	0.937	5	110.1538	0.937	5	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:3:4:1:	4:3:4:	4:2:1:1:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:O-2:H-1:H-1:	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH)	C(CC[6a]N[4]H)(OC)(H)2	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH){1|H<1>,1|N<3>}	C(CC[6a]N[4]H)(OC)(H)2	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:1:1:	4:3:4:	3:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	N[4]-3:C-4:H-1:H-1:	C(N[4]C[4]2)(CN[4]HH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH)	C(N[4]C[4]2)(CN[4]HH)(H)2	C(N[4]C[4]2)(CN[4]HH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	C(N[4]C[4]2)(CN[4]HH)(H)2	111.6370	0.000	1	114.0091	1.907	7	114.0091	1.907	7	114.0091	1.907	7	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:1:1:	4:3:4:	3:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	N[4]-3:C-4:H-1:H-1:	C(N[4]C[4]2)(CN[4]HH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH)	C(N[4]C[4]2)(CN[4]HH)(H)2	C(N[4]C[4]2)(CN[4]HH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(N[4]C[4]2)(CN[4]HH)(H)2	114.4045	0.988	6	114.0091	1.907	7	114.0091	1.907	7	114.0091	1.907	7	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:1:1:	4:3:4:	4:3:1:1:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:C-3:H-1:H-1:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4,5]C[5]H)(C[4]C[4,5]O)(CCHH)	C(CN[4]HH)(CCH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4,5]C[5]H)(C[4]C[4,5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C(CN[4]HH)(CCH)(H)2	114.3190	1.666	2	114.3190	2.775	2	114.3190	2.775	2	114.3190	2.775	2	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:1:1:	4:3:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[4]C[4,5]C[4])(CCHH)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCHH)	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,5]C[4])(CCHH)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCHH){1|C<4>,1|O<1>,4|C<3>}	C(CN[4]HH)(CH3)(H)2	113.4480	0.000	1	113.0210	0.365	2	113.0210	0.365	2	113.3920	2.086	13	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:1:1:	4:3:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[4]C[4,5]C[4])(CCHH)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCHH)	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,5]C[4])(CCHH)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCHH){1|O<2>,5|C<3>}	C(CN[4]HH)(CH3)(H)2	112.5940	0.000	1	113.0210	0.365	2	113.0210	0.365	2	113.3920	2.086	13	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:1:1:	4:3:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(CCHH)	C(CN[4]HH)(CN[6]HH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(CCHH){4|C<3>}	C(CN[4]HH)(CN[6]HH)(H)2	114.9960	0.000	1	114.9960	0.000	1	113.4595	2.435	11	113.3920	2.086	13	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:1:1:	4:3:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]S)(CCHH)	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]S)(CCHH){1|C<4>,1|H<1>}	C(CN[4]HH)(CCHH)(H)2	111.7870	0.000	1	111.7870	0.000	1	113.4595	2.435	11	113.3920	2.086	13	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:1:1:	4:3:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH)	C(CN[4]HH)(CN[6]HH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(CN[4]HH)(CN[6]HH)(H)2	113.0840	0.000	1	113.0840	0.000	1	113.4595	2.435	11	113.3920	2.086	13	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:1:1:	4:3:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH)	C(CN[4]HH)2(H)2	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH){1|H<1>,1|O<2>,2|C<3>}	C(CN[4]HH)2(H)2	113.5234	1.648	8	113.5234	2.717	8	113.4595	2.435	11	113.3920	2.086	13	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	10:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Nb[7x3,4]-10:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Nb[7x3,4]C[4])(CH3)2(H)	N[4](Nb[7x3,4]Nb[7x3,4]C[3,3,5]5N[3]2N[4])(C[4]N[4]C)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Nb[7x3,4]C[4])(CH3)2(H)	N[4](Nb[7x3,4]Nb[7x3,4]C[3,3,5]5N[3]2N[4])(C[4]N[4]C)(CCCH){11|C<4>,2|N<3>}	C(CN[4]CH)(H)3	112.5154	1.475	8	112.5154	2.176	8	112.5154	2.176	8	112.5154	2.176	8	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-3:B[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(B[4]N[4]N)(CCCH)	C(CN[4]CH)(H)3	C(N[4]B[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(B[4]N[4]N)(CCCH){1|C<4>,2|C<3>}	C(CN[4]CH)(H)3	110.5897	0.657	4	110.5897	0.432	4	110.5897	0.432	4	110.4032	0.364	6	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-3:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]P[4]N)(C[4]P[4]O)(CCCH)	C(CN[4]CH)(H)3	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]P[4]N)(C[4]P[4]O)(CCCH){1|C<4>,1|W<6>}	C(CN[4]CH)(H)3	110.0300	0.324	2	110.0300	0.105	2	110.0300	0.105	2	110.4032	0.364	6	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-3:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]MnC)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]MnC)(CCCH){1|C<4>,2|C<3>}	C(CN[4]CH)(H)3	110.6016	1.137	11	110.6016	1.292	11	110.5832	1.127	15	110.5832	1.127	15	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-3:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]RuC)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]RuC)(CCCH){1|C<4>,2|C<3>}	C(CN[4]CH)(H)3	110.5325	0.973	4	110.5325	0.947	4	110.5832	1.127	15	110.5832	1.127	15	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	3:5:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-3:Si[4]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH){1|C<4>,2|C<3>}	C(CN[4]CH)(H)3	110.7297	2.493	4	110.7297	6.213	4	110.7297	6.213	4	110.7297	6.213	4	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	B[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6]2N[4])(C[4]N[4]N)(CCCH)	C(CN[4]CH)(H)3	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6]2N[4])(C[4]N[4]N)(CCCH){1|C<3>,2|H<1>,4|C<4>}	C(CN[4]CH)(H)3	110.2780	0.542	2	110.2780	0.293	2	110.9072	0.486	6	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	B[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]N[4]H)(CCCH)	C(CN[4]CH)(H)3	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]N[4]H)(CCCH){1|C<4>,4|C<3>}	C(CN[4]CH)(H)3	111.2218	0.563	4	111.2218	0.316	4	110.9072	0.486	6	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4,5]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4,5]C[4])(CH3)2(H)	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(CCCH)	C(CN[4]CH)(H)3	C(N[4]C[4,5]C[4])(CH3)2(H)	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(CCCH){1|C<4>,2|H<1>,2|O<2>}	C(CN[4]CH)(H)3	110.8960	0.021	2	110.8960	0.000	2	110.8960	0.000	2	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CC)(C[4]C[4]C)(CCCH)	C(CN[4]CH)(H)3	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CC)(C[4]C[4]C)(CCCH){1|H<1>,1|N<3>}	C(CN[4]CH)(H)3	111.3290	0.925	2	111.3290	0.855	2	110.9995	0.531	10	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CC)(C[4]C[4]O)(CCCH)	C(CN[4]CH)(H)3	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CC)(C[4]C[4]O)(CCCH){1|C<3>,1|O<2>}	C(CN[4]CH)(H)3	110.6945	0.761	4	110.6945	0.579	4	110.9995	0.531	10	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCCH)	C(CN[4]CH)(H)3	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCCH){1|H<1>,1|O<2>}	C(CN[4]CH)(H)3	111.1397	0.712	4	111.1397	0.507	4	110.9995	0.531	10	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Ga[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4]C[4])(CH3)2(H)	N[4](Ga[4]N[4]ClFe)(C[4]N[4]C)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Ga[4]C[4])(CH3)2(H)	N[4](Ga[4]N[4]ClFe)(C[4]N[4]C)(CCCH){1|C<4>}	C(CN[4]CH)(H)3	109.0440	1.385	4	109.0440	1.917	4	109.0440	1.917	4	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Ge[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]ClFe)(C[4]N[4]C)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]ClFe)(C[4]N[4]C)(CCCH){1|C<4>}	C(CN[4]CH)(H)3	109.3271	1.107	8	109.3271	1.225	8	109.5756	1.402	12	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Ge[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]FeN)(C[4]N[4]C)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]FeN)(C[4]N[4]C)(CCCH){1|C<4>}	C(CN[4]CH)(H)3	110.0725	1.338	4	110.0725	1.789	4	109.5756	1.402	12	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	In[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]In[4]C[4])(CH3)2(H)	N[4](In[4]N[4]NN)(C[4]N[4]C)(CCCH)	C(CN[4]CH)(H)3	C(N[4]In[4]C[4])(CH3)2(H)	N[4](In[4]N[4]NN)(C[4]N[4]C)(CCCH){1|C<4>}	C(CN[4]CH)(H)3	108.8088	2.004	4	108.8088	4.014	4	108.8088	4.014	4	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	P[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4]P[4])(CH3)2(H)	N[4](P[4]S[4]CW)(C[4]S[4]N)(CCCH)	C(CN[4]CH)(H)3	C(N[4]C[4]P[4])(CH3)2(H)	N[4](P[4]S[4]CW)(C[4]S[4]N)(CCCH)	C(CN[4]CH)(H)3	111.3650	1.230	2	111.3650	1.514	2	111.3650	1.514	2	110.1570	1.865	40	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4]C)(Si[4]N[4]CN)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4]C)(Si[4]N[4]CN)(CCCH){1|C<4>,2|C<3>}	C(CN[4]CH)(H)3	111.2320	1.632	2	111.2320	2.663	2	111.2320	2.663	2	110.6125	1.433	4	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	P[4,6]-4:P[4,6]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4,6]2)(CH3)2(H)	N[4](P[4,6]N[4]N[6]2)2(CCCH)	C(CN[4]CH)(H)3	C(N[4]P[4,6]2)(CH3)2(H)	N[4](P[4,6]N[4]N[6]2)2(CCCH){1|C<4>,4|P<4>}	C(CN[4]CH)(H)3	109.9930	0.315	2	109.9930	0.099	2	109.9930	0.099	2	110.6125	1.433	4	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Ga[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4,4]C[4])(CH3)2(H)	N[4](Ga[4,4]N[4]3Cl)(C[4]N[4]C)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Ga[4,4]C[4])(CH3)2(H)	N[4](Ga[4,4]N[4]3Cl)(C[4]N[4]C)(CCCH){1|C<3>,3|C<4>}	C(CN[4]CH)(H)3	110.5105	1.487	4	110.5105	2.212	4	110.5105	2.212	4	111.0914	3.527	22	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	In[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]In[4,4]C[4])(CH3)2(H)	N[4](In[4,4]N[4]3Cl)(C[4]N[4]C)(CCCH)	C(CN[4]CH)(H)3	C(N[4]In[4,4]C[4])(CH3)2(H)	N[4](In[4,4]N[4]3Cl)(C[4]N[4]C)(CCCH){1|C<3>,3|C<4>}	C(CN[4]CH)(H)3	110.0157	1.743	4	110.0157	3.039	4	110.0157	3.039	4	111.0914	3.527	22	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Al)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Al)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	C(CN[4]CH)(H)3	110.7002	2.281	4	110.7002	5.204	4	111.0647	2.678	10	111.0914	3.527	22	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Fe)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Fe)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	C(CN[4]CH)(H)3	111.3077	1.233	6	111.3077	1.521	6	111.0647	2.678	10	111.0914	3.527	22	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,5]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH){1|C<4>,2|H<1>,6|C<3>}	C(CN[4]CH)(H)3	112.8148	2.334	4	112.8148	5.446	4	112.8148	5.446	4	111.0914	3.527	22	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	In[3x4]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]In[3x4]C[4])(CH3)2(H)	N[4](In[3x4]N[4]5)(C[4]N[4]N)(CCCH)	C(CN[4]CH)(H)3	C(N[4]In[3x4]C[4])(CH3)2(H)	N[4](In[3x4]N[4]5)(C[4]N[4]N)(CCCH){2|C<3>,5|C<4>}	C(CN[4]CH)(H)3	110.5150	0.682	30	110.5150	0.466	30	110.5150	0.466	30	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Nb[3,4]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Nb[3,4]C[4])(CH3)2(H)	N[4](Nb[3,4]C[3,6]C[3]N[4]CN)(C[4]N[4]N)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Nb[3,4]C[4])(CH3)2(H)	N[4](Nb[3,4]C[3,6]C[3]N[4]CN)(C[4]N[4]N)(CCCH){2|H<1>,3|C<3>}	C(CN[4]CH)(H)3	109.9025	0.452	2	109.9025	0.204	2	109.9025	0.204	2	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,4,5]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4,5]C[4])(CH3)2(H)	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4,5]C[4])(CH3)2(H)	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	C(CN[4]CH)(H)3	111.3482	1.367	16	111.3482	1.870	16	111.3482	1.870	16	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	C(CN[4]CH)(H)3	111.8066	1.497	8	111.8066	2.240	8	111.3786	1.723	35	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	C(CN[4]CH)(H)3	111.9596	1.755	8	111.9596	3.082	8	111.3786	1.723	35	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	C(CN[4]CH)(H)3	110.3801	0.241	7	110.3801	0.058	7	111.3786	1.723	35	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	C(CN[4]CH)(H)3	111.2883	0.942	12	111.2883	0.887	12	111.3786	1.723	35	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,5,5]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5,5]C[4])(CH3)2(H)	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,5,5]C[4])(CH3)2(H)	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH){1|C<4>,7|C<3>}	C(CN[4]CH)(H)3	110.7095	0.897	4	110.7095	0.804	4	110.7095	0.804	4	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,5]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	C(CN[4]CH)(H)3	111.4027	1.738	4	111.4027	3.022	4	111.0397	0.813	20	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,5]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	C(CN[4]CH)(H)3	111.2505	0.697	4	111.2505	0.485	4	111.0397	0.813	20	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:1:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,5]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	C(CN[4]CH)(H)3	110.8484	0.586	12	110.8484	0.343	12	111.0397	0.813	20	111.0160	1.273	107	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:2:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-2:	C[4]-3:Ga[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4]C[4])(CH3)2(CH)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ga[4]C[4])(CH3)2(CH)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3){2|Ga<4>,3|C<3>}	C(CN[4]CC)(H)3	111.4925	2.600	2	111.4925	6.760	2	111.4925	6.760	2	111.4925	6.760	2	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:3:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-3:	C[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)2(CNO)	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]C[4]2)(CH3)2(CNO)	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC3){1|C<4>,1|N<3>}	C(CN[4]CC)(H)3	109.0455	0.719	6	109.0455	0.517	6	109.0455	0.517	6	109.0455	0.517	6	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)3	N[4](C[4]C[4]N)(C[4]C[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]C[4]2)(CH3)3	N[4](C[4]C[4]N)(C[4]C[4]O)(CC3){1|C<3>}	C(CN[4]CC)(H)3	108.1922	0.163	5	108.1922	0.027	5	108.1922	0.027	5	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.0417	3.251	3	109.0417	10.569	3	109.4422	10.057	20	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2727	3.484	3	109.2727	12.137	3	109.4422	10.057	20	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]O)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.4312	3.454	11	109.4312	11.928	11	109.4422	10.057	20	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Re)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Re)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	110.0527	3.515	3	110.0527	12.353	3	109.4422	10.057	20	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]C[5]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]C[5]N[4])(CC3){1|C<4>,1|H<1>,4|C<3>}	C(CN[4]CC)(H)3	109.4817	3.334	3	109.4817	11.117	3	109.4413	7.175	63	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]C)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]C)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.7252	2.445	9	109.7252	5.976	9	109.4413	7.175	63	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]N)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.4726	2.758	33	109.4726	7.605	33	109.4413	7.175	63	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]O)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.1322	3.356	6	109.1322	11.262	6	109.4413	7.175	63	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]P)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]P)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2867	2.585	12	109.2867	6.682	12	109.4413	7.175	63	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]C)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]C)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.8857	1.671	3	108.8857	2.794	3	108.8259	0.809	37	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]Cl)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]Cl)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.9173	0.491	3	108.9173	0.241	3	108.8259	0.809	37	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)(P[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.0298	1.043	6	109.0298	1.088	6	108.8259	0.809	37	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.4090	1.670	2	109.4090	2.790	2	108.8259	0.809	37	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]O)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]O)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.6054	0.536	14	108.6054	0.287	14	108.8259	0.809	37	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]S)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]S)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.8529	1.087	9	108.8529	1.181	9	108.8259	0.809	37	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Se[4]-3:Se[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Se[4]2)(CH3)3	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]Se[4]2)(CH3)3	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.0443	3.456	3	109.0443	11.941	3	109.0443	11.941	3	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-3:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[3x3,4,3x5,14x6]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[3x3,4,3x5,14x6]N[4])(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>,4|B<6>}	C(CN[4]CC)(H)3	109.2925	2.236	24	109.2925	5.001	24	109.2541	6.281	48	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-3:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4])(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.2314	2.815	21	109.2314	7.927	21	109.2541	6.281	48	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-3:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[5a]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[5a]N[4])(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.1063	3.283	3	109.1063	10.781	3	109.2541	6.281	48	109.2187	5.711	176	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	B[4]-3:As[4,4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]As[4,4]B[4])(CH3)3	N[4](B[4]C[6a]N[4])(As[4,4]N[4]3)(CC3)	C(CN[4]CC)(H)3	C(N[4]As[4,4]B[4])(CH3)3	N[4](B[4]C[6a]N[4])(As[4,4]N[4]3)(CC3){1|B<4>,2|C<3>,3|C<4>}	C(CN[4]CC)(H)3	108.9012	0.464	6	108.9012	0.215	6	108.9012	0.215	6	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ga[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ga[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3){2|Ga<4>,3|C<3>}	C(CN[4]CC)(H)3	109.4640	3.799	3	109.4640	14.430	3	109.4640	14.430	3	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]AuC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]AuC)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.5327	2.792	6	109.5327	7.797	6	109.3952	8.058	54	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FeO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FeO)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2217	3.279	6	109.2217	10.751	6	109.3952	8.058	54	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]GeN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]GeN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.1990	3.313	6	109.1990	10.979	6	109.3952	8.058	54	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]IrC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]IrC)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.7437	3.043	12	109.7437	9.262	12	109.3952	8.058	54	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]NO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]NO)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.8178	2.974	12	108.8178	8.844	12	109.3952	8.058	54	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]RuC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]RuC)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.7402	2.574	12	109.7402	6.623	12	109.3952	8.058	54	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]AgN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]AgN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.1613	2.901	9	109.1613	8.415	9	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]AsN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]AsN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.1827	3.091	3	109.1827	9.554	3	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]BH)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]BH)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.9767	3.162	6	108.9767	9.999	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CH)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CH)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.8587	2.765	3	109.8587	7.647	3	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CaO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CaO)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.6037	3.223	6	109.6037	10.385	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]ClN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]ClN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.5883	2.668	18	108.5883	7.116	18	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CoN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CoN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.1235	2.587	6	109.1235	6.693	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CrF)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CrF)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2617	2.407	6	109.2617	5.793	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CuN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CuN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.9886	2.985	36	108.9886	8.910	36	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CuO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CuO)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.7217	3.842	3	108.7217	14.759	3	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]FW)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]FW)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2495	2.678	6	109.2495	7.170	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]FeC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]FeC)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.6682	2.385	6	109.6682	5.687	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]FeO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]FeO)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.6508	2.290	12	109.6508	5.243	12	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]FeP)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]FeP)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.8817	3.100	6	108.8817	9.610	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]GeN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]GeN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.3795	3.229	6	109.3795	10.424	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2389	2.812	15	109.2389	7.905	15	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NO)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.7945	2.704	12	108.7945	7.314	12	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NP)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NP)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2175	2.610	12	109.2175	6.811	12	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NS)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NS)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.0410	2.928	6	109.0410	8.572	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NiP)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NiP)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2286	2.482	12	109.2286	6.159	12	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Pt2)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Pt2)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.7948	2.820	6	108.7948	7.954	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]SS)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]SS)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.7288	3.122	5	108.7288	9.747	5	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]SeN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]SeN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.0806	2.760	24	109.0806	7.616	24	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]SiP)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]SiP)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.4660	3.313	6	109.4660	10.974	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]SmO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]SmO)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.6081	2.959	18	109.6081	8.754	18	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]ZnN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]ZnN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2855	3.073	6	109.2855	9.443	6	109.1500	7.335	254	109.1901	7.329	317	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:5:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FFN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]FFN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2750	2.077	6	109.2750	4.313	6	109.2750	4.313	6	109.5440	3.949	27	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:5:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.8365	1.405	6	109.6516	2.181	9	109.6209	4.027	21	109.5440	3.949	27	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:5:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]Cl3)(CC3){3|C<3>}	C(CN[4]CC)(H)3	109.2817	1.867	3	109.6516	2.181	9	109.6209	4.027	21	109.5440	3.949	27	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:5:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]F3)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]F3)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.6282	2.845	6	109.6282	8.095	6	109.6209	4.027	21	109.5440	3.949	27	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	3:5:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]FNO)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.5675	2.126	6	109.5675	4.518	6	109.6209	4.027	21	109.5440	3.949	27	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:2:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:Ge[4]-2:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Si[4]N[4]CC)(Ge[4]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Si[4]N[4]CC)(Ge[4]N[4])(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.7964	0.340	12	109.7964	0.116	12	109.7964	0.116	12	109.7964	0.116	12	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	B[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4])(CH3)3	N[4](B[4]C[6a]2N[4])(C[4]N[4]H)(CC3)	C(CN[4]CC)(H)3	C(N[4]B[4]C[4])(CH3)3	N[4](B[4]C[6a]2N[4])(C[4]N[4]H)(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	108.8643	0.899	6	108.8643	0.808	6	109.1717	3.336	12	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	B[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4])(CH3)3	N[4](B[4]C[6a]N[4]N)(C[4]N[4]C)(CC3)	C(CN[4]CC)(H)3	C(N[4]B[4]C[4])(CH3)3	N[4](B[4]C[6a]N[4]N)(C[4]N[4]C)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.4792	2.511	6	109.4792	6.304	6	109.1717	3.336	12	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4,6]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4,6]C[4])(CH3)3	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]C[4,6]C[4])(CH3)3	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]O)(CC3){1|C<3>,1|O<2>,3|H<1>}	C(CN[4]CC)(H)3	108.7640	0.830	6	108.7640	0.689	6	108.7640	0.689	6	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)3	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]C[4]2)(CH3)3	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC3){1|C<4>,1|H<1>,2|C<3>}	C(CN[4]CC)(H)3	108.8183	0.181	6	108.7958	0.035	9	108.7958	0.035	9	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4]2)(CH3)3	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]C[4]2)(CH3)3	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC3){1|C<4>,3|C<3>}	C(CN[4]CC)(H)3	108.7507	0.229	3	108.7958	0.035	9	108.7958	0.035	9	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](Ge[4]C[6a]N[4]Ir)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](Ge[4]C[6a]N[4]Ir)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.0503	2.835	3	109.0503	8.039	3	109.2377	7.491	9	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](Ge[4]Ge[4]N[4]Fe)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](Ge[4]Ge[4]N[4]Fe)(C[4]C[6a]N[4])(CC3){1|Fe<5>,1|C<4>,2|C<3>,2|N<3>}	C(CN[4]CC)(H)3	109.3313	2.956	6	109.3313	8.738	6	109.2377	7.491	9	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]Cl)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]Cl)(CC3){5|C<3>}	C(CN[4]CC)(H)3	109.0892	2.209	6	109.0892	4.878	6	109.1442	3.915	15	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]O)(CC3){5|C<3>}	C(CN[4]CC)(H)3	109.8643	3.321	3	109.8643	11.030	3	109.1442	3.915	15	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]N[4]H)(Ge[4]N[4]Cl)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]N[4]H)(Ge[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.8392	1.116	6	108.8392	1.245	6	109.1442	3.915	15	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]CN)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]CN)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.4026	0.608	12	109.4026	0.369	12	109.2798	0.726	33	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]CuO)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]CuO)(P[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.1597	1.337	3	109.1597	1.789	3	109.2798	0.726	33	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HO)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HO)(P[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.0013	0.984	3	109.0013	0.968	3	109.2798	0.726	33	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HS)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HS)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.1687	1.283	3	109.1687	1.645	3	109.2798	0.726	33	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NN)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NN)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.4453	0.394	3	109.4453	0.155	3	109.2798	0.726	33	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]PdO)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]PdO)(P[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.9123	0.358	3	108.9123	0.128	3	109.2798	0.726	33	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TeN)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TeN)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.0067	1.647	3	109.0067	2.711	3	109.2798	0.726	33	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]ZrN)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]ZrN)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.7730	1.106	3	109.7730	1.223	3	109.2798	0.726	33	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4,6]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4,6]C[4])(CH3)3	N[4](Si[4,4,6]C[3x3,4,4x5,15x6]B[4,5,6,6]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4,6]C[4])(CH3)3	N[4](Si[4,4,6]C[3x3,4,4x5,15x6]B[4,5,6,6]N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|B<5>,1|C<4>,1|H<1>,2|C<3>,3|B<6>}	C(CN[4]CC)(H)3	110.0915	2.847	6	110.0915	8.107	6	110.0915	8.107	6	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]As[4]2N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]As[4]2N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.0703	2.589	6	109.0703	6.703	6	109.0703	6.703	6	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,5,6,6]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5,6,6]C[4])(CH3)3	N[4](Si[4,5,6,6]C[3,3,3x5,8x6]B[4,5,6,6]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,5,6,6]C[4])(CH3)3	N[4](Si[4,5,6,6]C[3,3,3x5,8x6]B[4,5,6,6]N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|B<5>,1|C<4>,1|H<1>,2|C<3>,3|B<6>}	C(CN[4]CC)(H)3	108.5354	2.530	5	108.5354	6.400	5	108.5354	6.400	5	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,5]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5]C[4])(CH3)3	N[4](Si[4,5]C[5]N[4]N[5])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,5]C[4])(CH3)3	N[4](Si[4,5]C[5]N[4]N[5])(C[4]C[6a]N[4])(CC3){2|Si<4>,1|P<3>,2|C<3>,2|C<4>}	C(CN[4]CC)(H)3	109.6049	3.010	12	109.6049	9.061	12	109.6049	9.061	12	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,6,6]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,6,6]C[4])(CH3)3	N[4](Si[4,6,6]C[3x3,4,3x5,16x6]B[6,6]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,6,6]C[4])(CH3)3	N[4](Si[4,6,6]C[3x3,4,3x5,16x6]B[6,6]N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|C<2>,1|C<4>,2|C<3>,4|B<6>}	C(CN[4]CC)(H)3	109.3680	1.747	12	109.3581	2.829	24	109.4008	3.281	30	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,6,6]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,6,6]C[4])(CH3)3	N[4](Si[4,6,6]C[3x3,4,3x5,16x6]B[6,6]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,6,6]C[4])(CH3)3	N[4](Si[4,6,6]C[3x3,4,3x5,16x6]B[6,6]N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|C<4>,2|C<3>,2|H<1>,4|B<6>}	C(CN[4]CC)(H)3	109.3483	1.692	12	109.3581	2.829	24	109.4008	3.281	30	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,6,6]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,6,6]C[4])(CH3)3	N[4](Si[4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,6,6]C[4])(CH3)3	N[4](Si[4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]N[4])(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,1|N<3>,2|C<3>,4|B<6>}	C(CN[4]CC)(H)3	109.5713	2.445	6	109.5713	5.978	6	109.4008	3.281	30	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[3x3,4,3x5,14x6]N[4]O)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[3x3,4,3x5,14x6]N[4]O)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>,4|B<6>}	C(CN[4]CC)(H)3	108.9162	2.500	12	108.9162	6.250	12	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]B)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]B)(C[4]C[6a]N[4])(CC3){2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.4611	2.485	9	109.4611	6.173	9	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]H)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]H)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.0172	2.723	6	108.8572	7.395	12	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]H)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]H)(C[4]C[6a]N[4])(CC3){1|Ca<11>,2|C<3>,3|C<4>}	C(CN[4]CC)(H)3	108.6972	2.965	6	108.8572	7.395	12	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Ir)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Ir)(C[4]C[6a]N[4])(CC3){1|C<4>,1|H<1>,4|C<3>}	C(CN[4]CC)(H)3	109.4233	2.408	3	109.4233	5.797	3	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]S)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]S)(C[4]C[6a]N[4])(CC3){2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.0867	1.731	3	109.0867	2.997	3	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Se)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Se)(C[4]C[6a]N[4])(CC3){2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	108.9417	1.617	3	108.9417	2.615	3	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Te)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Te)(C[4]C[6a]N[4])(CC3){2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.3070	2.291	9	109.3070	5.248	9	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Zn)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Zn)(C[4]C[6a]N[4])(CC3){2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.3072	2.531	6	109.3072	6.408	6	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5x3,5x5,20x6]N[4]Ni)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5x3,5x5,20x6]N[4]Ni)(C[4]C[6a]N[4])(CC3){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	C(CN[4]CC)(H)3	109.2498	2.528	12	109.2498	6.392	12	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Ge)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Ge)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	108.9950	2.756	51	108.9950	7.594	51	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Ni)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Ni)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.4253	3.012	11	109.4253	9.074	11	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Si)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Si)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	108.7233	2.734	35	108.7233	7.473	35	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Zn)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Zn)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	108.7673	2.693	6	108.7673	7.253	6	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClCo)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClCo)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.3034	2.841	12	109.3034	8.070	12	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClFe)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClFe)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.9590	2.491	27	108.9590	6.205	27	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClMn)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClMn)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.9213	2.042	12	108.9213	4.171	12	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClMo)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClMo)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2315	2.059	6	109.2315	4.239	6	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClNi)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClNi)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.8457	2.856	3	108.8457	8.154	3	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]N[6]W)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]N[6]W)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	108.8797	2.216	6	108.8797	4.911	6	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[5a]N[4]Pd)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[5a]N[4]Pd)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	108.9598	2.875	9	108.9598	8.268	9	109.0209	6.354	247	109.1062	5.279	390	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	B[4]-4:As[4,4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]As[4,4]B[4])(CH3)3	N[4](B[4]C[6a]N[4]Cl)(As[4,4]N[4]3)(CC3)	C(CN[4]CC)(H)3	C(N[4]As[4,4]B[4])(CH3)3	N[4](B[4]C[6a]N[4]Cl)(As[4,4]N[4]3)(CC3){1|B<3>,2|C<3>,3|C<4>}	C(CN[4]CC)(H)3	109.1767	1.391	3	109.1767	1.936	3	109.1767	1.936	3	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]Ge[4]N[4]Se)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]Ge[4]N[4]Se)(Si[4]N[4]CC)(CC3){1|Se<2>,1|C<4>,2|N<3>}	C(CN[4]CC)(H)3	109.6979	1.010	16	109.6979	1.020	16	109.6246	0.967	22	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]N[4]ClP)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]N[4]ClP)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.3843	0.859	3	109.3843	0.738	3	109.6246	0.967	22	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]N[4]Se2)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]N[4]Se2)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.4743	1.265	3	109.4743	1.600	3	109.6246	0.967	22	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4,6]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4,6]Si[4])(CH3)3	N[4](P[4,6]C[5,6,6]C[6]N[4])(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4,6]Si[4])(CH3)3	N[4](P[4,6]C[5,6,6]C[6]N[4])(Si[4]N[4]CC)(CC3){1|Ge<2>,1|C<3>,1|P<3>,2|C<4>}	C(CN[4]CC)(H)3	109.4422	1.024	6	109.4422	1.048	6	109.4422	1.048	6	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:B[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]B[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(B[4]N[4]Cl2)(CC3)	C(CN[4]CC)(H)3	C(N[4]B[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(B[4]N[4]Cl2)(CC3){5|C<3>}	C(CN[4]CC)(H)3	109.5403	1.900	3	109.5403	3.611	3	109.5403	3.611	3	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Ga[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ga[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ga[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ga[4]N[4]Cl2)(CC3){5|C<3>}	C(CN[4]CC)(H)3	109.6273	3.069	3	109.6273	9.420	3	109.6273	9.420	3	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]ClFe)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]ClFe)(CC3){5|C<3>}	C(CN[4]CC)(H)3	109.3607	0.805	3	109.3607	0.648	3	109.4310	3.102	9	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]ClS)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]ClS)(CC3){5|C<3>}	C(CN[4]CC)(H)3	109.3150	2.431	3	109.3150	5.909	3	109.4310	3.102	9	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]SeO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Ge[4]N[4]SeO)(CC3){5|C<3>}	C(CN[4]CC)(H)3	109.6173	2.402	3	109.6173	5.769	3	109.4310	3.102	9	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]CuN)(P[4]N[4]CN)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]CuN)(P[4]N[4]CN)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.9860	0.932	12	108.9860	0.869	12	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HfN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HfN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.5207	1.022	3	109.5207	1.044	3	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NO)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NO)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.7170	0.709	3	108.7170	0.503	3	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NS)(P[4]N[4]OS)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NS)(P[4]N[4]OS)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.7356	1.246	18	108.7356	1.552	18	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NS)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NS)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.0305	1.223	20	109.0305	1.497	20	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NV)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NV)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.3093	0.954	3	109.3093	0.911	3	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]OS)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]OS)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.4449	1.202	23	108.4449	1.445	23	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]PdO)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]PdO)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	107.7337	1.492	3	107.7337	2.226	3	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]RhO)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]RhO)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.8993	0.845	6	108.8993	0.715	6	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SbN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SbN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.2216	0.911	11	109.2216	0.830	11	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]CN)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]CN)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.9148	1.278	12	108.9148	1.634	12	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]HS)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]HS)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.7122	1.222	9	108.7122	1.492	9	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]SeO)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]SeO)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.9883	1.937	3	108.9883	3.751	3	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)2(CC3)	C(CN[4]CC)(H)3	108.7273	1.223	3	109.0837	1.180	57	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.1035	1.087	54	109.0837	1.180	57	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeO)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeO)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.5733	1.393	6	108.5733	1.940	6	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TeN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TeN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.3682	1.280	6	109.3682	1.638	6	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TiN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TiN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.0597	1.353	3	109.0597	1.830	3	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]ZrN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]ZrN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.9942	0.799	6	108.9942	0.638	6	108.9192	1.293	204	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Si[4]N[4]SiN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Si[4]N[4]SiN)(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.5193	1.863	3	109.5193	3.471	3	109.6103	2.491	23	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]NiC)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]NiC)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.5662	2.029	5	109.5662	4.117	5	109.6103	2.491	23	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]NiN)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]NiN)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.0975	1.267	6	109.0975	1.606	6	109.6103	2.491	23	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]RhC)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]RhC)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	110.0069	1.595	9	110.0069	2.543	9	109.6103	2.491	23	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Ge)(C[4]C[6a]N[4]H)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Ge)(C[4]C[6a]N[4]H)(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	110.1053	2.271	3	110.1053	5.158	3	110.1053	5.158	3	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](Si[4]N[4]CC)(P[4]N[4]NO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](Si[4]N[4]CC)(P[4]N[4]NO)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.1287	1.168	3	109.1287	1.364	3	109.1611	2.560	8	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](Si[4]N[4]CC)(P[4]N[4]NS)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](Si[4]N[4]CC)(P[4]N[4]NS)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.1806	1.949	5	109.1806	3.797	5	109.1611	2.560	8	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]2)(CH3)3	N[4](Si[4]N[4]CN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]2)(CH3)3	N[4](Si[4]N[4]CN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.8727	0.453	6	109.8727	0.205	6	109.8727	0.205	6	109.1093	1.576	290	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	In[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]In[4,4]C[4])(CH3)3	N[4](In[4,4]N[4]3Br)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]In[4,4]C[4])(CH3)3	N[4](In[4,4]N[4]3Br)(C[4]C[6a]N[4])(CC3){3|C<3>,3|C<4>}	C(CN[4]CC)(H)3	109.9349	3.725	12	109.9349	13.878	12	109.9349	13.878	12	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Nb[4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Nb[4]C[4])(CH3)3	N[4](Nb[4]N[4]N3)(C[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]Nb[4]C[4])(CH3)3	N[4](Nb[4]N[4]N3)(C[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.9660	3.779	3	109.9660	14.277	3	109.9660	14.277	3	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[3,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]C[3,6,6]N[4]O[3]Cl)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]C[3,6,6]N[4]O[3]Cl)(C[4]C[6a]N[4])(CC3){2|C<3>,3|C<4>}	C(CN[4]CC)(H)3	109.2102	2.537	6	109.2102	6.437	6	109.5701	6.134	36	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[3,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]C[3]2N[4]C)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]C[3]2N[4]C)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.8158	2.619	6	109.8158	6.860	6	109.5701	6.134	36	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[3,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]C[3]N[3]N[4]C)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]C[3]N[3]N[4]C)(C[4]C[6a]N[4])(CC3){1|C<4>,1|H<1>,4|C<3>}	C(CN[4]CC)(H)3	109.7512	2.291	6	109.7512	5.251	6	109.5701	6.134	36	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[3,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]C[3]N[3]N[4]N)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]C[3]N[3]N[4]N)(C[4]C[6a]N[4])(CC3){1|C<4>,1|H<1>,4|C<3>}	C(CN[4]CC)(H)3	109.6352	2.831	6	109.6352	8.014	6	109.5701	6.134	36	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[3,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]N[3]2N[4]C)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]N[3]2N[4]C)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.6755	2.129	6	109.6755	4.532	6	109.5701	6.134	36	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[3,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]Si[3,6]C[6a]N[4]O[3])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[3,4]C[4])(CH3)3	N[4](Si[3,4]Si[3,6]C[6a]N[4]O[3])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|C<4>,1|O<2>,4|C<3>}	C(CN[4]CC)(H)3	109.3330	3.390	6	109.3330	11.491	6	109.5701	6.134	36	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4,5]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4,5]C[4])(CH3)3	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4,5]C[4])(CH3)3	N[4](Si[4,4,5]C[5,6a]Si[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|N<3>,2|C<4>,5|C<3>}	C(CN[4]CC)(H)3	109.8352	2.579	6	109.8352	6.653	6	109.5524	7.950	18	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4,5]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4,5]C[4])(CH3)3	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4,5]C[4])(CH3)3	N[4](Si[4,4,5]C[5x3,6x5,20x6]C[4,5]N[4]O[4])(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,1|C<6>,3|C<3>,4|B<6>}	C(CN[4]CC)(H)3	109.4111	3.033	12	109.4111	9.197	12	109.5524	7.950	18	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4,6,6]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4,6,6]C[4])(CH3)3	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4,6,6]C[4])(CH3)3	N[4](Si[4,4,6,6]C[3x3,4,3x5,16x6]C[4,6,6]C[4]N[4])(C[4]C[6a]N[4])(CC3){1|Si<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,4|B<6>}	C(CN[4]CC)(H)3	109.7290	2.310	6	109.7290	5.337	6	109.7290	5.337	6	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]O[4]2)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]C[3x3,4,3x5,14x6]N[4]O[4]2)(C[4]C[6a]N[4])(CC3){1|C<4>,3|C<3>,4|B<6>}	C(CN[4]CC)(H)3	109.8272	1.621	6	109.8272	2.628	6	109.7714	5.179	66	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]C[4,5]N[4]O[4]O)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,3|C<3>}	C(CN[4]CC)(H)3	109.7772	2.066	12	109.7772	4.268	12	109.7714	5.179	66	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]N[4]3Cl)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]N[4]3Cl)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>,2|N<2>}	C(CN[4]CC)(H)3	109.9112	1.717	6	109.9112	2.949	6	109.7714	5.179	66	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]N[4]O[4]2C)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]N[4]O[4]2C)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.7510	2.415	6	109.7510	5.831	6	109.7714	5.179	66	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]N[4]O[4]2N)(C[4]C[6a]N[4])(CC3){1|Si<5>,1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.6692	2.616	18	109.6692	6.843	18	109.7714	5.179	66	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]Si[4,3x6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.4720	1.900	6	109.4720	3.609	6	109.7714	5.179	66	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]Si[4,6,6]C[6a]N[4]O[4])(C[4]C[6a]N[4])(CC3){2|Si<4>,2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.9092	3.396	6	109.9092	11.536	6	109.7714	5.179	66	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,4]C[4])(CH3)3	N[4](Si[4,4]Si[4]C[4]N[4]Cl)(C[4]C[6a]N[4])(CC3){1|Cl<1>,1|C<4>,1|N<3>,4|C<3>}	C(CN[4]CC)(H)3	110.0530	2.799	6	110.0530	7.832	6	109.7714	5.179	66	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,5]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5]C[4])(CH3)3	N[4](Si[4,5]N[4]O[5]2Cl)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,5]C[4])(CH3)3	N[4](Si[4,5]N[4]O[5]2Cl)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.6323	2.477	6	109.6323	6.137	6	109.8748	6.717	12	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4,5]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,5]C[4])(CH3)3	N[4](Si[4,5]N[4]O[5]2N)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4,5]C[4])(CH3)3	N[4](Si[4,5]N[4]O[5]2N)(C[4]C[6a]N[4])(CC3){2|C<3>,3|C<4>}	C(CN[4]CC)(H)3	110.1172	2.915	6	110.1172	8.498	6	109.8748	6.717	12	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]FN)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.8455	3.043	6	109.8455	9.260	6	109.7709	5.644	48	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]Cl2C)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]Cl2C)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	110.1357	2.200	12	110.1357	4.842	12	109.7709	5.644	48	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.9977	3.145	3	109.4981	6.251	9	109.7709	5.644	48	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]Cl2H)(C[4]C[6a]N[4])(CC3){3|C<3>}	C(CN[4]CC)(H)3	109.2483	2.413	6	109.4981	6.251	9	109.7709	5.644	48	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]Cl2H)(C[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]Cl2H)(C[4]N[4]N)(CC3){1|C<3>}	C(CN[4]CC)(H)3	109.9417	4.139	3	109.9417	17.131	3	109.7709	5.644	48	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClFN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.6778	2.142	12	109.6778	4.590	12	109.7709	5.644	48	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClHN)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.4763	2.365	6	109.4763	5.591	6	109.7709	5.644	48	109.7332	6.181	201	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP2_SP3	C	N[4]	C	3:4:4:4:	6:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[3,3,4,5]-6:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[3,3,4,5]C[4])(CH3)3	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[3,3,4,5]C[4])(CH3)3	N[4](Si[3,3,4,5]Si[3,3,4,5]C[5,6a]N[4]O[3]2)(C[4]C[6a]N[4])(CC3){1|C<4>,2|N<3>,5|C<3>}	C(CN[4]CC)(H)3	109.5393	3.374	6	109.5393	11.383	6	109.5393	11.383	6	109.5393	11.383	6	109.5087	5.180	1661	109.5087	5.180	1661
490	74	490	0:SP3_SP3_SP3	C	N[4,6]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4,6]-3:C-4:C-4:C-4:	P[4,6,6]-3:P[4,6,6]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4,6]P[4,6,6]2)(CH3)3	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC3)	C(CN[4,6]CC)(H)3	C(N[4,6]P[4,6,6]2)(CH3)3	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC3){1|As<3>,3|C<4>}	C(CN[4,6]CC)(H)3	109.2408	2.558	6	109.0605	5.124	18	109.0605	5.124	18	109.0605	5.124	18	109.0605	5.124	18	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4,6]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4,6]-3:C-4:C-4:C-4:	P[4,6,6]-3:P[4,6,6]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4,6]P[4,6,6]2)(CH3)3	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC3)	C(CN[4,6]CC)(H)3	C(N[4,6]P[4,6,6]2)(CH3)3	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC3){1|C<4>,3|C<3>}	C(CN[4,6]CC)(H)3	108.9703	2.218	12	109.0605	5.124	18	109.0605	5.124	18	109.0605	5.124	18	109.0605	5.124	18	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:1:1:	3:2:4:	3:4:1:1:	N[4]-3:C-4:F-1:F-1:	C[4]-3:O[4]-2:C-4:	C[6a]-3:C-4:H-1:H-1:	C(N[4]C[4]O[4])(CC[6a]HH)(F)2	N[4](C[4]C[4]O)(O[4]C[4])(CCFF)	C(C[6a]C[6a]2)(CN[4]FF)(H)2	C(N[4]C[4]O[4])(CC[6a]HH)(F)2	N[4](C[4]C[4]O)(O[4]C[4])(CCFF){2|C<3>}	C(C[6a]C[6a]2)(CN[4]FF)(H)2	111.2640	0.000	1	111.2640	0.000	1	111.2640	0.000	1	111.2640	0.000	1	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:1:1:	4:3:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:C-4:H-1:I-1:	C(N[4]C[4]2)(CCHI)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCHH)	C(CN[4]HH)(CHHO)(H)(I)	C(N[4]C[4]2)(CCHI)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCHH){2|H<1>}	C(CN[4]HH)(CHHO)(H)(I)	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:1:1:	4:4:4:	4:1:1:1:	N[4]-3:C-4:H-1:H-1:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)(H)2	N[4](P[4]N[4]NS)2(CCHH)	C(CN[4]HH)(H)3	C(N[4]P[4]2)(CH3)(H)2	N[4](P[4]N[4]NS)2(CCHH){1|C<4>}	C(CN[4]HH)(H)3	113.6890	0.000	1	113.6890	0.000	1	113.6890	0.000	1	113.6890	0.000	1	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:1:1:	4:4:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4,6]-4:C[4]-4:C-4:	C-4:C-4:H-1:H-1:	C(N[4]C[4,6]C[4])(CCHH)(H)2	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH)	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4,6]C[4])(CCHH)(H)2	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH){1|C<3>,1|N<3>,3|H<1>}	C(CN[4]HH)(CH3)(H)2	111.3880	0.000	1	111.3880	0.000	1	111.3880	0.000	1	112.6443	1.745	6	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:1:1:	4:4:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:C-4:H-1:H-1:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCHH)	C(CN[4]HH)(CH3)(H)2	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCHH){1|H<1>,1|O<2>}	C(CN[4]HH)(CH3)(H)2	112.3635	0.110	2	112.3635	0.012	2	113.3187	2.743	3	112.6443	1.745	6	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:1:1:	4:4:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:C-4:H-1:H-1:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)2(CCHH)	C(CN[4]HH)(CCHH)(H)2	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)2(CCHH){1|C<3>,1|H<1>}	C(CN[4]HH)(CCHH)(H)2	115.2290	0.000	1	115.2290	0.000	1	113.3187	2.743	3	112.6443	1.745	6	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:1:1:	4:4:4:	4:4:1:1:	N[4]-3:C-4:H-1:H-1:	P[4,6]-4:P[4,6]-4:C-4:	C-4:C-4:H-1:H-1:	C(N[4]P[4,6]2)(CCHH)(H)2	N[4](P[4,6]N[4]N[6]2)2(CCHH)	C(CN[4]HH)(CCHH)(H)2	C(N[4]P[4,6]2)(CCHH)(H)2	N[4](P[4,6]N[4]N[6]2)2(CCHH){1|C<4>,4|P<4>}	C(CN[4]HH)(CCHH)(H)2	112.2610	0.000	2	112.2610	0.000	2	112.2610	0.000	2	112.6443	1.745	6	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:1:1:	4:4:4:	4:4:4:4:	N[4]-3:C-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:	C-4:C-4:C-4:C-4:	C(N[4]Ga[4]2)(CC3)(H)2	N[4](Ga[4]N[4]HN)2(CCHH)	C(CN[4]HH)(CHHN)(CH3)2	C(N[4]Ga[4]2)(CC3)(H)2	N[4](Ga[4]N[4]HN)2(CCHH){1|C<4>}	C(CN[4]HH)(CHHN)(CH3)2	116.0390	0.000	1	116.0390	0.000	1	116.0390	0.000	1	116.0390	0.000	1	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:1:1:	5:3:4:	4:1:1:1:	N[4]-3:C-4:H-1:H-1:	Nb[4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Nb[4]C[4])(CH3)(H)2	N[4](Nb[4]N[4]N3)(C[4]N[4]N)(CCHH)	C(CN[4]HH)(H)3	C(N[4]Nb[4]C[4])(CH3)(H)2	N[4](Nb[4]N[4]N3)(C[4]N[4]N)(CCHH){1|C<4>}	C(CN[4]HH)(H)3	114.5690	0.000	1	114.5690	0.000	1	114.5690	0.000	1	114.5690	0.000	1	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Ge[4]-3:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]N)(C[4]N[4]C)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]N)(C[4]N[4]C)(CCCH){1|C<4>}	C(CN[4]CH)(H)3	109.5577	1.486	4	109.5577	2.208	4	109.5577	2.208	4	109.5577	2.208	4	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-3:B[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(B[4]N[4]ClFe)(CCCH)	C(CN[4]CH)(H)3	C(N[4]B[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(B[4]N[4]ClFe)(CCCH){1|C<4>,2|C<3>}	C(CN[4]CH)(H)3	112.2980	1.213	8	112.2980	1.472	8	112.2980	1.472	8	112.2980	1.472	8	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	B[4,6,6]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]B[4,6,6]C[4])(CH3)2(H)	N[4](B[4,6,6]C[6,6]2N[4])(C[4]N[4]N)(CCCH)	C(CN[4]CH)(H)3	C(N[4]B[4,6,6]C[4])(CH3)2(H)	N[4](B[4,6,6]C[6,6]2N[4])(C[4]N[4]N)(CCCH){1|C<3>,2|H<1>,4|C<4>}	C(CN[4]CH)(H)3	111.3650	0.215	2	111.3650	0.046	2	111.3650	0.046	2	110.8918	0.985	10	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	B[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]C[6a]N[4])(CCCH){1|C<4>,6|C<3>}	C(CN[4]CH)(H)3	110.5147	1.017	4	110.5147	1.033	4	110.7735	1.180	8	110.8918	0.985	10	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	B[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]N[4]C)(CCCH)	C(CN[4]CH)(H)3	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]N[4]C)(CCCH){1|C<4>,4|C<3>}	C(CN[4]CH)(H)3	111.0323	1.242	4	111.0323	1.542	4	110.7735	1.180	8	110.8918	0.985	10	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4]C)(Si[4]N[4]CN)(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4]C)(Si[4]N[4]CN)(CCCH){1|C<4>,2|C<3>}	C(CN[4]CH)(H)3	110.3175	1.954	2	110.3175	3.817	2	110.3175	3.817	2	110.1630	1.391	4	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	P[4,6]-4:P[4,6]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4,6]2)(CH3)2(H)	N[4](P[4,6]N[4]N[6]2)2(CCCH)	C(CN[4]CH)(H)3	C(N[4]P[4,6]2)(CH3)2(H)	N[4](P[4,6]N[4]N[6]2)2(CCCH){1|C<4>,4|P<4>}	C(CN[4]CH)(H)3	110.0085	0.510	2	110.0085	0.260	2	110.0085	0.260	2	110.1630	1.391	4	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	4:4:4:	4:3:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-4:C[4]-4:C-4:	C-4:C-3:H-1:H-1:	C(N[4]C[4]2)(CCHH)2(H)	N[4](C[4]C[4]HH)2(CCCH)	C(CN[4]CH)(CC[6a]N)(H)2	C(N[4]C[4]2)(CCHH)2(H)	N[4](C[4]C[4]HH)2(CCCH){2|N<3>}	C(CN[4]CH)(CC[6a]N)(H)2	106.2110	0.000	1	106.2110	0.000	1	106.2110	0.000	1	106.2110	0.000	1	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	4:4:4:	4:4:1:1:	N[4]-3:C-4:C-4:H-1:	C[4]-4:C[4]-4:C-4:	C-4:C-4:H-1:H-1:	C(N[4]C[4]2)(CCHH)2(H)	N[4](C[4]C[4]HH)2(CCCH)	C(CC[6a]HH)(CN[4]CH)(H)2	C(N[4]C[4]2)(CCHH)2(H)	N[4](C[4]C[4]HH)2(CCCH){2|N<3>}	C(CC[6a]HH)(CN[4]CH)(H)2	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	108.4800	0.000	1	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Al)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Al)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	C(CN[4]CH)(H)3	112.8905	1.309	4	112.8905	1.715	4	112.8630	1.065	6	112.8630	1.065	6	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:1:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Fe)(C[4]C[6a]N[4])(CCCH)	C(CN[4]CH)(H)3	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Fe)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	C(CN[4]CH)(H)3	112.8080	0.417	2	112.8080	0.174	2	112.8630	1.065	6	112.8630	1.065	6	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:2:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:Ge[4]-2:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]N[4])(Ge[4]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]P[4])(CH3)3	N[4](P[4]C[6a]N[4])(Ge[4]N[4])(CC3){3|C<3>}	C(CN[4]CC)(H)3	108.9757	2.078	3	108.9757	4.318	3	108.9757	4.318	3	108.9757	4.318	3	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	B[4]-3:As[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]As[4]B[4])(CH3)3	N[4](B[4]C[6a]N[4])(As[4]N[4]Cl)(CC3)	C(CN[4]CC)(H)3	C(N[4]As[4]B[4])(CH3)3	N[4](B[4]C[6a]N[4])(As[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.1082	1.643	6	109.1082	2.700	6	109.1082	2.700	6	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]C)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.3320	4.227	3	109.3320	17.865	3	109.3572	11.792	9	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]N)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.4527	3.447	3	109.4527	11.884	3	109.3572	11.792	9	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Re)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Ge[4]N[4]Re)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.2870	4.171	3	109.2870	17.397	3	109.3572	11.792	9	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]C[5]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]C[5]N[4])(CC3){1|C<4>,1|H<1>,4|C<3>}	C(CN[4]CC)(H)3	108.9980	3.350	3	108.9980	11.225	3	109.5165	7.888	14	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]C)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]C)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.3053	3.618	3	109.3053	13.093	3	109.5165	7.888	14	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]N)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.0730	2.938	3	109.0730	8.629	3	109.5165	7.888	14	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]O)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	110.2204	2.857	5	110.2204	8.160	5	109.5165	7.888	14	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]C[5]N[4])2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]C[5]N[4])2(CC3){1|Fe<10>,5|C<4>}	C(CN[4]CC)(H)3	109.0060	2.850	3	109.0060	8.125	3	109.0713	1.733	123	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]C)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]C)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.9547	1.547	6	108.9547	2.394	6	109.0713	1.733	123	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]Cl)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]Cl)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.6093	1.648	3	108.6093	2.717	3	109.0713	1.733	123	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)(P[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.2229	1.258	24	109.2229	1.582	24	109.0713	1.733	123	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)2(CC3){1|C<3>}	C(CN[4]CC)(H)3	109.0787	1.443	3	109.2308	1.849	27	109.0713	1.733	123	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.2498	1.381	24	109.2308	1.849	27	109.0713	1.733	123	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]O)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]O)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.0069	1.225	51	109.0069	1.501	51	109.0713	1.733	123	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]S)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]S)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.8079	1.391	9	108.8079	1.935	9	109.0713	1.733	123	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	S[4]-3:Ge[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]S[4])(CH3)3	N[4](S[4]C[6a]N[4])(Ge[4]N[4]Cl)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]S[4])(CH3)3	N[4](S[4]C[6a]N[4])(Ge[4]N[4]Cl)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.7618	2.943	6	108.7618	8.663	6	108.7618	8.663	6	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Se[4]-3:Se[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Se[4]2)(CH3)3	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]Se[4]2)(CH3)3	N[4](Se[4]N[4]N)(Se[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.7467	3.538	3	108.7467	12.514	3	108.7467	12.514	3	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-3:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4])(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.3464	3.109	9	109.3464	9.668	9	109.3426	9.438	12	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-3:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[5a]N[4])(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[5a]N[4])(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.3310	3.638	3	109.3310	13.238	3	109.3426	9.438	12	109.1260	3.481	173	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]AgN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]AgN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.1123	3.439	3	109.1123	11.825	3	109.2965	6.936	33	109.1439	7.173	39	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]AsN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]AsN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.4447	2.440	3	109.4447	5.954	3	109.2965	6.936	33	109.1439	7.173	39	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CH)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CH)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.8050	2.521	3	109.8050	6.356	3	109.2965	6.936	33	109.1439	7.173	39	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CuN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CuN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.3219	2.882	18	109.3219	8.305	18	109.2965	6.936	33	109.1439	7.173	39	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CuO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]CuO)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.9817	2.808	3	108.9817	7.882	3	109.2965	6.936	33	109.1439	7.173	39	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-3:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](C[4]C[6a]N[4])(Si[4]N[4]NN)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.9867	2.756	3	108.9867	7.598	3	109.2965	6.936	33	109.1439	7.173	39	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	3:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	S[4]-3:Ge[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]S[4])(CH3)3	N[4](S[4]C[6a]N[4])(Ge[4]N[4]ClS)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]S[4])(CH3)3	N[4](S[4]C[6a]N[4])(Ge[4]N[4]ClS)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.3043	3.021	6	108.3043	9.124	6	108.3043	9.124	6	109.1439	7.173	39	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:2:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	C[4]-4:O[4]-2:C-4:	C-4:H-1:H-1:H-1:	C(N[4]C[4]O[4])(CH3)3	N[4](C[4]C[6a]C[4]H)(O[4]C[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]C[4]O[4])(CH3)3	N[4](C[4]C[6a]C[4]H)(O[4]C[4])(CC3){1|C<4>,3|C<3>}	C(CN[4]CC)(H)3	108.3634	4.555	9	108.3634	20.745	9	108.3634	20.745	9	108.3634	20.745	9	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]C[4])(CH3)3	N[4](Ge[4]C[6a]N[4]Ir)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]C[4])(CH3)3	N[4](Ge[4]C[6a]N[4]Ir)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.1590	4.145	3	109.1590	17.185	3	109.1590	17.185	3	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:S[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]S[4])(CH3)3	N[4](Ge[4]N[4]ClSe)(S[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]S[4])(CH3)3	N[4](Ge[4]N[4]ClSe)(S[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.6370	2.558	12	108.6370	6.545	12	108.6370	6.545	12	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4,5]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4,5]P[4])(CH3)3	N[4](P[4,5]C[5]N[4]N[5])(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4,5]P[4])(CH3)3	N[4](P[4,5]C[5]N[4]N[5])(P[4]N[4]N)(CC3){2|C<3>,3|C<4>}	C(CN[4]CC)(H)3	109.1835	1.922	6	109.1835	3.696	6	109.1835	3.696	6	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]CN)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]CN)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.7766	1.177	18	109.7766	1.386	18	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]CuO)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]CuO)(P[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.7970	1.525	9	108.7970	2.325	9	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HO)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HO)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.7775	1.274	6	108.7775	1.623	6	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HO)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HO)(P[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.6957	1.176	9	108.6957	1.384	9	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HS)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HS)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.7327	1.341	3	108.7327	1.799	3	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NN)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NN)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.4600	1.775	3	109.4600	3.149	3	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NN)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NN)(P[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.7946	0.999	12	108.7946	0.998	12	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]PdO)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]PdO)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.0073	1.072	12	109.0073	1.148	12	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]PdO)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]PdO)(P[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.1787	1.763	3	109.1787	3.110	3	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]RhO)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]RhO)(P[4]N[4]O)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.8458	1.448	6	108.8458	2.097	6	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.0712	1.480	6	109.0712	2.189	6	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TeN)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TeN)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.9097	2.407	3	108.9097	5.795	3	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]ZrN)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]ZrN)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.5597	2.025	3	109.5597	4.102	3	109.0831	1.702	93	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	S[4]-4:Se[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Se[4]S[4])(CH3)3	N[4](S[4]N[4]OO)(Se[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]Se[4]S[4])(CH3)3	N[4](S[4]N[4]OO)(Se[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.6403	3.007	12	108.6403	9.042	12	108.6403	9.042	12	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]B)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]B)(C[4]C[6a]N[4])(CC3){2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.4643	3.363	3	109.4643	11.311	3	109.0024	7.592	30	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Ir)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Ir)(C[4]C[6a]N[4])(CC3){1|C<4>,1|H<1>,4|C<3>}	C(CN[4]CC)(H)3	109.1817	2.532	3	109.1817	6.411	3	109.0024	7.592	30	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]S)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]S)(C[4]C[6a]N[4])(CC3){2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.4570	2.850	3	109.4570	8.123	3	109.0024	7.592	30	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Se)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Se)(C[4]C[6a]N[4])(CC3){2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.3903	3.086	3	109.3903	9.526	3	109.0024	7.592	30	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Te)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]Te)(C[4]C[6a]N[4])(CC3){2|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.2713	2.952	3	109.2713	8.716	3	109.0024	7.592	30	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Ge)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Ge)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	107.4373	4.299	3	107.4373	18.484	3	109.0024	7.592	30	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClFe)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClFe)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.5253	3.245	3	108.5253	10.530	3	109.0024	7.592	30	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClNi)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]ClNi)(C[4]C[6a]N[4])(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	108.9470	3.098	3	108.9470	9.601	3	109.0024	7.592	30	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]FeH)(C[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[4]FeH)(C[4]N[4]N)(CC3){1|C<3>}	C(CN[4]CC)(H)3	109.4343	3.388	3	109.4343	11.480	3	109.0024	7.592	30	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[5a]N[4]Pd)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]N[5a]N[4]Pd)(C[4]C[6a]N[4])(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	108.9150	3.252	3	108.9150	10.573	3	109.0024	7.592	30	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](Si[4]N[4]CC)(P[4]N[4]C)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](Si[4]N[4]CC)(P[4]N[4]C)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.6508	1.474	6	109.6508	2.172	6	109.6508	2.172	6	109.0284	3.841	162	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	B[4]-4:As[4,4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]As[4,4]B[4])(CH3)3	N[4](B[4]C[6a]N[4]Cl)(As[4,4]N[4]3)(CC3)	C(CN[4]CC)(H)3	C(N[4]As[4,4]B[4])(CH3)3	N[4](B[4]C[6a]N[4]Cl)(As[4,4]N[4]3)(CC3){1|B<3>,2|C<3>,3|C<4>}	C(CN[4]CC)(H)3	109.5470	2.451	3	109.5470	6.006	3	109.5470	6.006	3	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]Ge[4]N[4]Se)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]Ge[4]N[4]Se)(Si[4]N[4]CC)(CC3){1|Se<2>,1|C<4>,2|N<3>}	C(CN[4]CC)(H)3	109.6762	1.192	6	109.6762	1.420	6	109.6847	1.396	33	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]N[4]ClP)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]N[4]ClP)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.7883	1.195	15	109.7883	1.427	15	109.6847	1.396	33	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]N[4]SS)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]N[4]SS)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.5777	1.272	6	109.5777	1.619	6	109.6847	1.396	33	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Ge[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]N[4]Se2)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Ge[4]Si[4])(CH3)3	N[4](Ge[4]N[4]Se2)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.5413	1.353	6	109.5413	1.830	6	109.6847	1.396	33	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4,5]-4:C[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4,5]C[4])(CH3)3	N[4](P[4,5]C[4,5]P[5]O)(C[4]C[4,5]C[6a]H)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4,5]C[4])(CH3)3	N[4](P[4,5]C[4,5]P[5]O)(C[4]C[4,5]C[6a]H)(CC3){1|C<4>,1|O<1>,5|C<3>}	C(CN[4]CC)(H)3	108.9307	1.963	3	108.9307	3.853	3	108.9307	3.853	3	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HS)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HS)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.4152	0.972	6	108.4152	0.946	6	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HfN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]HfN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.5913	0.861	3	108.5913	0.742	3	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]MgN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]MgN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.4143	1.656	3	109.4143	2.742	3	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NO)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NO)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.7770	2.175	3	108.7770	4.730	3	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NS)(P[4]N[4]OS)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NS)(P[4]N[4]OS)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.8958	1.365	28	108.8958	1.864	28	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NS)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NS)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.6453	1.106	3	108.6453	1.222	3	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N[6]Cu)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N[6]Cu)2(CC3){5|C<4>}	C(CN[4]CC)(H)3	109.1890	1.639	26	109.1890	2.687	26	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N[6]Se)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]N[6]Se)2(CC3){5|C<4>}	C(CN[4]CC)(H)3	108.7340	1.575	12	108.7340	2.481	12	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]OO)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]OO)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.3818	1.070	12	108.3818	1.145	12	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]OS)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]OS)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.3007	1.076	12	108.3007	1.158	12	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]PdO)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]PdO)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.5067	0.749	3	109.5067	0.561	3	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]HS)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]HS)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.6050	0.849	2	109.6050	0.720	2	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]SeO)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)(P[4]N[4]SeO)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.8415	1.636	8	108.8415	2.675	8	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.6838	1.192	29	108.6838	1.421	29	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeO)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]SeO)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.5949	1.232	12	108.5949	1.518	12	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TeN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TeN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.8532	0.685	9	108.8532	0.469	9	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TiN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]TiN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.8607	0.850	3	108.8607	0.722	3	108.7900	1.684	174	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Si[4]N[4]SiN)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]C[6a]2N[4])(Si[4]N[4]SiN)(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.2737	2.349	3	109.2737	5.520	3	109.6244	2.590	30	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]NiC)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]NiC)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.5369	1.537	18	109.5369	2.363	18	109.6244	2.590	30	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]NiN)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]NiN)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.8958	1.389	6	109.8958	1.929	6	109.6244	2.590	30	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]RhC)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]RhC)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.9573	2.547	3	109.9573	6.487	3	109.6244	2.590	30	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:C[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Ge)(C[4]C[6a]N[4]H)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[6a]N[4]Ge)(C[4]C[6a]N[4]H)(CC3){1|C<4>,4|C<3>}	C(CN[4]CC)(H)3	109.6847	3.482	3	109.6847	12.125	3	109.6847	12.125	3	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:P[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](Si[4]N[4]CC)(P[4]N[4]NO)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](Si[4]N[4]CC)(P[4]N[4]NO)(CC3){1|C<4>}	C(CN[4]CC)(H)3	108.9480	1.573	3	108.9480	2.476	3	108.9480	2.476	3	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-4:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]2)(CH3)3	N[4](Si[4]N[4]CN)2(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]2)(CH3)3	N[4](Si[4]N[4]CN)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	110.3323	0.491	6	110.3323	0.241	6	110.3323	0.241	6	109.0632	2.000	255	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4,5]-5:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4,5]P[4])(CH3)3	N[4](P[4,5]N[4]O[5]2O)(P[4]N[4]O)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4,5]P[4])(CH3)3	N[4](P[4,5]N[4]O[5]2O)(P[4]N[4]O)(CC3){1|C<4>,2|C<3>}	C(CN[4]CC)(H)3	109.6853	1.772	6	109.6853	3.141	6	109.6853	3.141	6	109.4261	3.812	24	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-5:P[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NiSeN)(P[4]N[4]N)(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]NiSeN)(P[4]N[4]N)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.1386	1.181	12	109.1386	1.396	12	109.1386	1.396	12	109.4261	3.812	24	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	Si[4]-5:C[4]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]ReH)(C[4]C[6a]N[4])(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]C[4])(CH3)3	N[4](Si[4]C[5]N[4]ReH)(C[4]C[6a]N[4])(CC3){2|C<3>,3|C<4>}	C(CN[4]CC)(H)3	109.7418	3.305	6	109.7418	10.925	6	109.7418	10.925	6	109.4261	3.812	24	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	5:4:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-5:Si[4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]AlNS)(Si[4]N[4]CC)(CC3)	C(CN[4]CC)(H)3	C(N[4]Si[4]P[4])(CH3)3	N[4](P[4]N[4]AlNS)(Si[4]N[4]CC)(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.5272	1.155	6	109.5272	1.333	6	109.5272	1.333	6	109.5272	1.333	6	109.2368	3.778	719	109.2325	3.805	737
490	74	490	0:SP3_SP3_SP3	C	N[4]	C	3:4:4:4:	5:5:4:	4:1:1:1:	N[4]-3:C-4:C-4:C-4:	P[4]-5:P[4]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]AlNS)2(CC3)	C(CN[4]CC)(H)3	C(N[4]P[4]2)(CH3)3	N[4](P[4]N[4]AlNS)2(CC3){1|C<4>}	C(CN[4]CC)(H)3	109.4660	2.544	3	109.4660	6.473	3	109.4660	6.473	3	109.4660	6.473	3	109.2368	3.778	719	109.2325	3.805	737
490	74	643	0:SP3_SP2_SP2	C	N[4,6]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	N[4,6]-3:C[6a]-3:C[6a]-3:H-1:	P[4,6,6]-3:P[4,6,6]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC[6a]2H)	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC[6a]2H){1|C<4>,3|C<3>}	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.5867	1.505	4	110.5867	2.266	4	110.5867	2.266	4	110.5867	2.266	4	110.5867	2.266	4	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]HH){1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	113.7160	0.000	1	114.0425	0.213	2	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]HH){1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	114.3690	0.000	1	114.0425	0.213	2	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]HH){1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	113.9390	0.000	1	112.8910	2.197	2	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]HH){2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|Br<1>,1|C<3>,1|H<1>}	111.8430	0.000	1	112.8910	2.197	2	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]HH){1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	114.6060	0.000	1	114.6060	0.000	1	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]HO)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]HO)(C[4]C[4]O)(CC[6a]HH){1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	116.7360	0.000	1	116.7360	0.000	1	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]C)(C[4]C[4]N)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]C)(C[4]C[4]N)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	112.9750	0.000	1	112.9750	0.000	1	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	113.2015	0.590	2	113.3730	1.736	7	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	112.2695	1.118	2	113.3730	1.736	7	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH){1|C<4>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	114.7060	0.000	1	113.3730	1.736	7	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	115.3610	0.000	1	113.3730	1.736	7	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH){3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	112.6020	0.000	1	113.3730	1.736	7	113.6996	1.976	14	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,5,6]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5,6]C[4,5]C[5,6]C[6])(C[4]C[4,5]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5,6]C[4,5]C[5,6]C[6])(C[4]C[4,5]O)(CC[6a]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	115.3010	0.000	1	115.3010	0.000	1	115.3010	0.000	1	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	113.8100	0.740	2	113.8100	0.547	2	113.6623	0.431	4	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	114.0890	0.000	1	114.0890	0.000	1	113.6623	0.431	4	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CC[6a]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	112.9400	0.000	1	112.9400	0.000	1	113.6623	0.431	4	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,6]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,6]C[4]C[6]2)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,6]C[4]C[6]2)(C[4]C[4]O)(CC[6a]HH){3|C<3>,3|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,1|H<1>,1|N<3>}	110.8470	0.000	1	110.8470	0.000	1	110.8470	0.000	1	113.6296	1.978	20	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:3:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:C-3:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CNO)(H)	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	C(C[6a]C[6a]2)(N[4]C[4]2)(CNO)(H)	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]CH){1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	111.5970	0.000	1	111.5970	0.000	1	111.5970	0.000	1	112.4620	1.496	2	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:3:1:	4:3:4:	3:3:4:	N[4]-3:C[6a]-3:C-3:H-1:	C[4,5,6]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(CNO)(H)	N[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(CNO)(H)	N[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]O)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	113.3270	0.000	1	113.3270	0.000	1	113.3270	0.000	1	112.4620	1.496	2	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:3:1:	4:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N[4]-3:H-1:	C[4]-4:C[4]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]2H)	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]2H){1|C<4>,1|H<1>}	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.6912	1.008	4	110.6912	1.017	4	110.7580	0.621	6	110.7580	0.621	6	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:3:1:	4:3:4:	4:3:3:	C[6a]-3:C[6a]-3:N[4]-3:H-1:	C[4]-4:C[4]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[4]C[5]H)(C[4]C[4]O)(CC[6a]2H)	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[4]C[5]H)(C[4]C[4]O)(CC[6a]2H){1|O<2>,2|C<4>,2|H<1>}	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.8915	0.057	2	110.8915	0.003	2	110.7580	0.621	6	110.7580	0.621	6	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[4]-3:	P[4]-3:P[4]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[4]P[4]2)	N[4](P[4]N[4]N)2(CC[6a]3)	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[4]P[4]2)	N[4](P[4]N[4]N)2(CC[6a]3){1|C<4>}	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.2750	2.110	3	109.2750	4.454	3	109.2750	4.454	3	109.2750	4.454	3	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:3:3:	4:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[4]-3:	C[4]-4:C[4]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[4]C[4]2)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]3)	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[4]C[4]2)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]3){1|C<3>,1|H<1>}	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.1387	1.857	18	108.1387	3.448	18	108.1387	3.448	18	108.1387	3.448	18	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:4:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4,6]CH)(C[4]C[4,6]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4,6]CH)(C[4]C[4,6]O)(CC[6a]CH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	108.1330	0.000	1	108.1330	0.000	1	111.8478	5.046	6	111.8478	5.046	6	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:4:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	110.9530	0.000	1	110.9530	0.000	1	111.8478	5.046	6	111.8478	5.046	6	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:4:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]O)(CC[6a]CH){1|H<1>,1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	114.0605	0.548	2	114.0605	0.300	2	111.8478	5.046	6	111.8478	5.046	6	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:4:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]CH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	111.4290	0.000	1	111.4290	0.000	1	111.8478	5.046	6	111.8478	5.046	6	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP2	C	N[4]	C[6a]	3:3:4:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH){1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	112.4510	0.000	1	112.4510	0.000	1	111.8478	5.046	6	111.8478	5.046	6	111.0449	8.118	55	111.0139	7.689	59
490	74	643	0:SP3_SP2_SP3	C	N[4,6]	C[6a]	3:3:3:1:	3:3:4:	4:3:3:	N[4,6]-3:C[6a]-3:C[6a]-3:H-1:	P[4,6,6]-3:P[4,6,6]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC[6a]2H)	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC[6a]2H){1|C<4>,3|C<3>}	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	110.2369	1.485	8	110.2369	2.207	8	110.2369	2.207	8	110.2369	2.207	8	110.9028	2.616	12	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4,6]	C[6a]	3:3:3:1:	4:3:4:	4:3:3:	N[4,6]-3:C[6a]-3:C[6a]-3:H-1:	P[4,6,6]-4:P[4,6,6]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6]Ir)(P[4,6,6]N[4,6]N[6,6])(CC[6a]2H)	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6]Ir)(P[4,6,6]N[4,6]N[6,6])(CC[6a]2H){1|C<4>,3|C<3>}	C[6a](CN[4,6]C[6a]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	112.2345	0.947	4	112.2345	0.897	4	112.2345	0.897	4	112.2345	0.897	4	110.9028	2.616	12	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]C[6]H)(C[4]C[4]O)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]C[6]H)(C[4]C[4]O)(CC[6a]HH){1|Cl<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	111.1660	0.000	1	111.1660	0.000	1	110.6105	0.617	2	110.6105	0.617	2	109.9158	4.918	19	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]C)(C[4]C[4]N)(CC[6a]HH)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]C)(C[4]C[4]N)(CC[6a]HH){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CN[4]HH){1|C<3>,2|H<1>}	110.0550	0.000	1	110.0550	0.000	1	110.6105	0.617	2	110.6105	0.617	2	109.9158	4.918	19	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4]	C[6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH){1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	111.5780	0.000	1	112.3495	1.190	2	111.7407	2.258	4	111.5188	1.940	5	109.9158	4.918	19	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4]	C[6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH){2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	113.1210	0.000	1	112.3495	1.190	2	111.7407	2.258	4	111.5188	1.940	5	109.9158	4.918	19	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4]	C[6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]HH){2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	111.1320	2.025	2	111.1320	4.101	2	111.7407	2.258	4	111.5188	1.940	5	109.9158	4.918	19	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4]	C[6a]	3:3:1:1:	4:4:4:	3:3:4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5,5]H)(C[4]C[4,5]HH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[4]HH)	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5,5]H)(C[4]C[4,5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	C[6a](C[6a]C[6a]H)2(CN[4]HH){1|C<3>,2|H<1>}	110.6310	0.000	1	110.6310	0.000	1	110.6310	0.000	1	111.5188	1.940	5	109.9158	4.918	19	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4]	C[6a]	3:3:3:1:	4:4:4:	3:3:4:	C[6a]-3:N[4]-3:C-3:H-1:	C[4]-4:C[4]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[4]CH)	C(C[6a]C[6a]2)(N[4]C[4]2)(CHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH){1|H<1>,1|O<1>}	C[6a](C[6a]C[6a]H)2(CN[4]CH){1|C<3>,2|H<1>}	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	111.4390	0.000	1	109.9158	4.918	19	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4]	C[6a]	3:3:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[6a]-3:N[4]-3:H-1:	C[4]-4:C[4]-4:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[3,4]HH)2(CC[6a]2H)	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[3,4]HH)2(CC[6a]2H){1|C<4>,1|O<2>}	C[6a](CC[6a]N[4]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.5280	1.877	2	109.5280	3.522	2	109.5280	3.522	2	109.5280	3.522	2	109.9158	4.918	19	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4]	C[6a]	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[4]-3:	P[4]-3:P[4]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[4]P[4]2)	N[4](P[4]N[4]Cl)2(CC[6a]3)	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[4]P[4]2)	N[4](P[4]N[4]Cl)2(CC[6a]3){1|C<4>}	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.5620	2.817	6	108.5620	7.933	6	108.7878	6.092	9	108.7878	6.092	9	109.9158	4.918	19	110.2978	4.149	31
490	74	643	0:SP3_SP2_SP3	C	N[4]	C[6a]	3:3:3:3:	3:3:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[4]-3:	P[4]-3:P[4]-3:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[4]P[4]2)	N[4](P[4]N[4]N)2(CC[6a]3)	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[4]P[4]2)	N[4](P[4]N[4]N)2(CC[6a]3){1|C<4>}	C[6a](CC[6a]2N[4])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	109.2393	2.019	3	109.2393	4.078	3	108.7878	6.092	9	108.7878	6.092	9	109.9158	4.918	19	110.2978	4.149	31
490	74	830	0:SP3_SP-NON_SP3	C	N[4]	F	3:4:1:1:	3:2:4:	4:	N[4]-3:C-4:F-1:F-1:	C[4]-3:O[4]-2:C-4:	C-4:	C(N[4]C[4]O[4])(CC[6a]HH)(F)2	N[4](C[4]C[4]O)(O[4]C[4])(CCFF)	F(CN[4]CF)	C(N[4]C[4]O[4])(CC[6a]HH)(F)2	N[4](C[4]C[4]O)(O[4]C[4])(CCFF){2|C<3>}	F(CN[4]CF)	108.7245	2.521	2	108.7245	6.355	2	108.7245	6.355	2	108.7245	6.355	2	108.7245	6.355	2	108.7245	6.355	2
490	74	880	0:SP3_SP2_SP3	C	N[4]	Si	3:4:4:1:	4:3:4:	4:4:4:4:	N[4]-3:Si-4:Si-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:C-4:C-4:C-4:	C(N[4]C[4]2)(SiC3)2(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CSi2H)	Si(CN[4]SiH)(CH3)3	C(N[4]C[4]2)(SiC3)2(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CSi2H){1|C<4>,1|N<3>}	Si(CN[4]SiH)(CH3)3	111.0545	1.716	4	111.0545	2.946	4	111.0545	2.946	4	111.0545	2.946	4	111.0545	2.946	4	111.0545	2.946	4
490	74	930	0:SP3_SP2_SP2	C	N[4]	C	3:3:1:1:	4:3:4:	4:3:1:	N[4]-3:C-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:C-3:H-1:	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCHH)	C(CN[4]HH)(CHH)(H)	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCHH){1|C<4>,1|H<1>}	C(CN[4]HH)(CHH)(H)	107.8220	0.000	1	107.8220	0.000	1	107.8220	0.000	1	111.8935	33.154	2	110.8459	7.477	7	110.8459	7.477	7
490	74	930	0:SP3_SP2_SP2	C	N[4]	C	3:3:1:1:	4:3:4:	4:3:1:	N[4]-3:C-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:N-3:O-1:	C(N[4]C[4]2)(CNO)(H)2	N[4](C[4]C[4]HH)(C[4]C[4]O)(CCHH)	C(CN[4]HH)(NHH)(O)	C(N[4]C[4]2)(CNO)(H)2	N[4](C[4]C[4]HH)(C[4]C[4]O)(CCHH){1|C<4>,1|N<3>}	C(CN[4]HH)(NHH)(O)	115.9650	0.000	1	115.9650	0.000	1	115.9650	0.000	1	111.8935	33.154	2	110.8459	7.477	7	110.8459	7.477	7
490	74	930	0:SP3_SP2_SP2	C	N[4]	C	3:3:3:1:	4:3:4:	4:3:1:	C[6a]-3:N[4]-3:C-3:H-1:	C[4]-4:C[4]-3:C-4:	C-4:N-3:O-1:	C(C[6a]C[6a]2)(N[4]C[4]2)(CNO)(H)	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]CH)	C(CC[6a]N[4]H)(NCH)(O)	C(C[6a]C[6a]2)(N[4]C[4]2)(CNO)(H)	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]CH){1|C<4>,1|N<3>}	C(CC[6a]N[4]H)(NCH)(O)	108.6680	0.000	1	108.6680	0.000	1	108.6680	0.000	1	108.9190	0.126	2	110.8459	7.477	7	110.8459	7.477	7
490	74	930	0:SP3_SP2_SP2	C	N[4]	C	3:3:3:1:	4:3:4:	4:3:1:	N[4]-3:C[6a]-3:C-3:H-1:	C[4,5,6]-4:C[4]-3:C-4:	C-4:N-3:O-1:	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(CNO)(H)	N[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]O)(CC[6a]CH)	C(CC[6a]N[4]H)(NCH)(O)	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(CNO)(H)	N[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]O)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	C(CC[6a]N[4]H)(NCH)(O)	109.1700	0.000	1	109.1700	0.000	1	109.1700	0.000	1	108.9190	0.126	2	110.8459	7.477	7	110.8459	7.477	7
490	74	930	0:SP3_SP2_SP2	C	N[4]	C	3:4:4:3:	4:3:4:	4:3:1:	N[4]-3:C-4:C-4:C-3:	C[4]-4:C[4]-3:C-4:	C-4:N-3:O-1:	C(N[4]C[4]2)(CH3)2(CNO)	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC3)	C(CN[4]CC)(NCH)(O)	C(N[4]C[4]2)(CH3)2(CNO)	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC3){1|C<4>,1|N<3>}	C(CN[4]CC)(NCH)(O)	111.4320	0.681	3	111.4320	0.464	3	111.4320	0.464	3	111.4320	0.464	3	110.8459	7.477	7	110.8459	7.477	7
490	74	930	0:SP3_SP2_SP3	C	N[4,6]	C	3:3:1:1:	4:4:4:	4:3:1:	N[4,6]-3:C-3:H-1:H-1:	C[4,6,6]-4:C[4,6,6]-4:C-4:	C-4:C-3:H-1:	C(N[4,6]C[4,6,6]2)(CCH)(H)2	N[4,6](C[4,6,6]C[4,6]C[6,6]H)2(CCHH)	C(CN[4,6]HH)(CHH)(H)	C(N[4,6]C[4,6,6]2)(CCH)(H)2	N[4,6](C[4,6,6]C[4,6]C[6,6]H)2(CCHH){1|C<3>,1|N<4>,5|H<1>}	C(CN[4,6]HH)(CHH)(H)	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	111.6300	0.000	1	111.6437	1.720	9
490	74	930	0:SP3_SP2_SP3	C	N[4]	C	3:3:1:1:	4:4:4:	4:3:1:	N[4]-3:C-3:H-1:H-1:	C[4,4]-4:C[4]-4:C-4:	C-4:C-3:H-1:	C(N[4]C[4,4]C[4])(CCH)(H)2	N[4](C[4,4]C[4]3)(C[4]C[4]CH)(CCHH)	C(CN[4]HH)(CHH)(H)	C(N[4]C[4,4]C[4])(CCH)(H)2	N[4](C[4,4]C[4]3)(C[4]C[4]CH)(CCHH){1|C<3>,1|N<3>,5|H<1>}	C(CN[4]HH)(CHH)(H)	113.7920	0.000	1	113.7920	0.000	1	113.7920	0.000	1	111.5603	2.226	7	111.6454	1.966	8	111.6437	1.720	9
490	74	930	0:SP3_SP2_SP3	C	N[4]	C	3:3:1:1:	4:4:4:	4:3:1:	N[4]-3:C-3:H-1:H-1:	C[4,6]-4:C[4]-4:C-4:	C-4:C-3:H-1:	C(N[4]C[4,6]C[4])(CCH)(H)2	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH)	C(CN[4]HH)(CHH)(H)	C(N[4]C[4,6]C[4])(CCH)(H)2	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH){1|C<3>,1|N<3>,3|H<1>}	C(CN[4]HH)(CHH)(H)	111.9010	0.000	1	111.9010	0.000	1	111.9010	0.000	1	111.5603	2.226	7	111.6454	1.966	8	111.6437	1.720	9
490	74	930	0:SP3_SP2_SP3	C	N[4]	C	3:3:1:1:	4:4:4:	4:3:1:	N[4]-3:C-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:C-3:H-1:	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]CH)(CCHH)	C(CN[4]HH)(CHH)(H)	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]CH)(CCHH){1|C<3>,1|H<1>}	C(CN[4]HH)(CHH)(H)	113.1190	0.000	1	113.1190	0.000	1	111.0458	1.734	5	111.5603	2.226	7	111.6454	1.966	8	111.6437	1.720	9
490	74	930	0:SP3_SP2_SP3	C	N[4]	C	3:3:1:1:	4:4:4:	4:3:1:	N[4]-3:C-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:C-3:H-1:	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CH)2(CCHH)	C(CN[4]HH)(CHH)(H)	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CH)2(CCHH){1|C<3>,1|H<1>}	C(CN[4]HH)(CHH)(H)	110.5275	0.722	4	110.5275	0.521	4	111.0458	1.734	5	111.5603	2.226	7	111.6454	1.966	8	111.6437	1.720	9
490	74	930	0:SP3_SP2_SP3	C	N[4]	C	3:3:3:1:	4:4:4:	4:2:1:	C[6a]-3:N[4]-3:C-3:H-1:	C[4]-4:C[4]-4:C-4:	C-4:O-2:H-1:	C(C[6a]C[6a]2)(N[4]C[4]2)(CHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)	C(CC[6a]N[4]H)(OC)(H)	C(C[6a]C[6a]2)(N[4]C[4]2)(CHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH){1|H<1>,1|O<1>}	C(CC[6a]N[4]H)(OC)(H)	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	112.2410	0.000	1	111.6454	1.966	8	111.6437	1.720	9
490	74	951	0:SP3_SP-NON_SP2	C	N[4,6]	H	3:3:3:1:	3:3:4:	4:	N[4,6]-3:C[6a]-3:C[6a]-3:H-1:	P[4,6,6]-3:P[4,6,6]-3:C-4:	C-4:	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC[6a]2H)	H(CN[4,6]C[6a]2)	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC[6a]2H){1|C<4>,3|C<3>}	H(CN[4,6]C[6a]2)	108.3375	0.179	2	108.3375	0.032	2	108.3375	0.032	2	108.3375	0.032	2	108.3375	0.032	2	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:1:1:1:	4:3:4:	4:	N[4]-3:H-1:H-1:H-1:	C[3,4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[3,4]C[4])(H)3	N[4](C[3,4]C[3,4]N[3]H)(C[4]C[3,4]H)(CH3)	H(CN[4]HH)	C(N[4]C[3,4]C[4])(H)3	N[4](C[3,4]C[3,4]N[3]H)(C[4]C[3,4]H)(CH3){1|C<4>,1|H<1>}	H(CN[4]HH)	109.4980	0.057	2	109.4980	0.003	2	109.4980	0.003	2	109.1179	2.149	20	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:1:1:1:	4:3:4:	4:	N[4]-3:H-1:H-1:H-1:	C[4,4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,4]C[4])(H)3	N[4](C[4,4]C[4,4]N[4]C)(C[4]C[4,4]O)(CH3)	H(CN[4]HH)	C(N[4]C[4,4]C[4])(H)3	N[4](C[4,4]C[4,4]N[4]C)(C[4]C[4,4]O)(CH3){1|C<3>,2|H<1>}	H(CN[4]HH)	107.7878	1.908	6	107.7878	3.640	6	107.7878	3.640	6	109.1179	2.149	20	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:1:1:1:	4:3:4:	4:	N[4]-3:H-1:H-1:H-1:	C[4,6]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,6]C[4])(H)3	N[4](C[4,6]C[4,6]C[6]C)(C[4]C[4,6]O)(CH3)	H(CN[4]HH)	C(N[4]C[4,6]C[4])(H)3	N[4](C[4,6]C[4,6]C[6]C)(C[4]C[4,6]O)(CH3){2|C<4>,3|H<1>}	H(CN[4]HH)	109.4793	0.018	3	109.4793	0.000	3	109.4793	0.000	3	109.1179	2.149	20	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:1:1:1:	4:3:4:	4:	N[4]-3:H-1:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(H)3	N[4](C[4]C[4]HH)(C[4]C[4]O)(CH3)	H(CN[4]HH)	C(N[4]C[4]2)(H)3	N[4](C[4]C[4]HH)(C[4]C[4]O)(CH3){1|C<4>,1|O<2>}	H(CN[4]HH)	109.4817	0.014	3	109.4817	0.000	3	109.7997	0.893	9	109.1179	2.149	20	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:1:1:1:	4:3:4:	4:	N[4]-3:H-1:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(H)3	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CH3)	H(CN[4]HH)	C(N[4]C[4]2)(H)3	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CH3){1|H<1>,1|N<3>,2|C<3>}	H(CN[4]HH)	110.4350	1.632	3	109.9587	1.338	6	109.7997	0.893	9	109.1179	2.149	20	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:1:1:1:	4:3:4:	4:	N[4]-3:H-1:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(H)3	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CH3)	H(CN[4]HH)	C(N[4]C[4]2)(H)3	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CH3){1|H<1>,3|C<3>}	H(CN[4]HH)	109.4823	0.010	3	109.9587	1.338	6	109.7997	0.893	9	109.1179	2.149	20	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[4]H)	108.8085	0.036	2	108.7335	0.008	4	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]O)(CC[6a]HH){1|H<1>,1|O<2>}	H(CC[6a]N[4]H)	108.6585	0.009	2	108.7335	0.008	4	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[4]H)	108.7910	0.000	1	109.0890	0.067	3	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]HH){2|H<1>}	H(CC[6a]N[4]H)	109.2380	0.031	2	109.0890	0.067	3	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]HH){1|C<4>,1|O<2>}	H(CC[6a]N[4]H)	108.6025	0.005	2	108.6025	0.000	2	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]HO)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]HO)(C[4]C[4]O)(CC[6a]HH){1|C<4>,1|H<1>}	H(CC[6a]N[4]H)	108.1010	0.086	2	108.1010	0.007	2	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]C)(C[4]C[4]N)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]C)(C[4]C[4]N)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[4]H)	109.0055	0.028	2	109.0055	0.001	2	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH){1|Br<1>,1|C<4>,2|C<3>}	H(CC[6a]N[4]H)	108.9670	0.133	4	108.9105	0.089	14	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH){1|C<4>,1|H<1>,2|C<3>}	H(CC[6a]N[4]H)	109.1510	0.245	4	108.9105	0.089	14	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH){1|C<4>,3|C<3>}	H(CC[6a]N[4]H)	108.5880	0.007	2	108.9105	0.089	14	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH){1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]N[4]H)	108.4585	0.009	2	108.9105	0.089	14	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]HH){3|C<3>}	H(CC[6a]N[4]H)	109.0910	0.006	2	108.9105	0.089	14	108.8284	0.111	27	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	N[4]-3:C-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCHH){1|C<4>,1|H<1>}	H(CN[4]CH)	110.1260	0.004	2	110.1260	0.000	2	108.9133	1.963	4	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	N[4]-3:C-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CNO)(H)2	N[4](C[4]C[4]HH)(C[4]C[4]O)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CNO)(H)2	N[4](C[4]C[4]HH)(C[4]C[4]O)(CCHH){1|C<4>,1|N<3>}	H(CN[4]CH)	107.7005	0.074	2	107.7005	0.006	2	108.9133	1.963	4	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,5,6]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5,6]C[4,5]C[5,6]C[6])(C[4]C[4,5]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5,6]C[4,5]C[5,6]C[6])(C[4]C[4,5]O)(CC[6a]HH){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	H(CC[6a]N[4]H)	108.4620	0.051	2	108.4620	0.003	2	108.4620	0.003	2	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5]C)(C[4]C[4,5]O)(CC[6a]HH){1|C<3>,1|C<4>,2|H<1>}	H(CC[6a]N[4]H)	108.8003	0.168	4	108.8003	0.028	4	108.8355	0.021	8	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(CC[6a]HH){1|H<1>,2|C<4>,2|O<2>}	H(CC[6a]N[4]H)	108.7550	0.017	2	108.7550	0.000	2	108.8355	0.021	8	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CC[6a]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	H(CC[6a]N[4]H)	108.9865	0.013	2	108.9865	0.000	2	108.8355	0.021	8	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:1:1:	4:3:4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,6]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,6]C[4]C[6]2)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,6]C[4]C[6]2)(C[4]C[4]O)(CC[6a]HH){3|C<3>,3|H<1>}	H(CC[6a]N[4]H)	109.5060	0.030	2	109.5060	0.001	2	109.5060	0.001	2	108.8521	0.241	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6a]-3:N[4]-3:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]2H)	H(CC[6a]2N[4])	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]2H){1|C<4>,1|H<1>}	H(CC[6a]2N[4])	108.3460	1.700	2	108.3460	2.890	2	107.6300	2.983	3	107.6738	1.683	5	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:C[6a]-3:N[4]-3:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[4]C[5]H)(C[4]C[4]O)(CC[6a]2H)	H(CC[6a]2N[4])	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[4]C[5]H)(C[4]C[4]O)(CC[6a]2H){1|O<2>,2|C<4>,2|H<1>}	H(CC[6a]2N[4])	106.1980	0.000	1	106.1980	0.000	1	107.6300	2.983	3	107.6738	1.683	5	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:3:1:	4:3:4:	4:	C[6a]-3:N[4]-3:C-3:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CNO)(H)	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CNO)(H)	N[4](C[4]C[4]HH)(C[4]C[4]O)(CC[6a]CH){1|C<4>,1|N<3>}	H(CC[6a]N[4]C)	107.1270	0.000	1	107.1270	0.000	1	107.1270	0.000	1	107.6738	1.683	5	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:3:1:	4:3:4:	4:	N[4]-3:C[6a]-3:C-3:H-1:	C[4,5,6]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(CNO)(H)	N[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]O)(CC[6a]CH)	H(CC[6a]N[4]C)	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(CNO)(H)	N[4](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4]C[4,5,6]O)(CC[6a]CH){1|C<3>,2|C<4>,2|H<1>}	H(CC[6a]N[4]C)	108.3520	0.000	1	108.3520	0.000	1	108.3520	0.000	1	107.6738	1.683	5	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4,6]CH)(C[4]C[4,6]O)(CC[6a]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4,6]CH)(C[4]C[4,6]O)(CC[6a]CH){2|C<3>}	H(CC[6a]N[4]C)	108.1200	0.000	1	108.1200	0.000	1	107.4922	0.147	6	107.4922	0.147	6	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH){1|C<3>,1|H<1>}	H(CC[6a]N[4]C)	107.6160	0.000	1	107.6160	0.000	1	107.4922	0.147	6	107.4922	0.147	6	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]O)(CC[6a]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]C)(C[4]C[4]O)(CC[6a]CH){1|H<1>,1|O<2>,2|C<3>}	H(CC[6a]N[4]C)	107.1275	0.221	2	107.1275	0.049	2	107.4922	0.147	6	107.4922	0.147	6	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CH3)(H)	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CC[6a]CH){1|H<1>,3|C<3>}	H(CC[6a]N[4]C)	107.5560	0.000	1	107.5560	0.000	1	107.4922	0.147	6	107.4922	0.147	6	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[4]-3:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CHHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CC[6a]CH){1|H<1>,1|N<3>}	H(CC[6a]N[4]C)	107.4060	0.000	1	107.4060	0.000	1	107.4922	0.147	6	107.4922	0.147	6	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:1:1:	4:3:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,5]C[4])(CCHH)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCHH)	H(CN[4]CH)	C(N[4]C[4,5]C[4])(CCHH)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCHH){1|C<4>,1|O<1>,4|C<3>}	H(CN[4]CH)	108.4410	0.188	2	108.8860	0.536	4	108.8860	0.536	4	108.8045	0.131	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:1:1:	4:3:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4,5]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,5]C[4])(CCHH)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCHH)	H(CN[4]CH)	C(N[4]C[4,5]C[4])(CCHH)(H)2	N[4](C[4,5]C[5,6a]C[4]C[5])(C[4]C[4]O)(CCHH){1|O<2>,5|C<3>}	H(CN[4]CH)	109.3310	0.884	2	108.8860	0.536	4	108.8860	0.536	4	108.8045	0.131	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:1:1:	4:3:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4,5]C[5]H)(C[4]C[4,5]O)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4,5]C[5]H)(C[4]C[4,5]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	H(CN[4]CH)	108.6800	0.285	4	108.6800	0.081	4	108.7962	0.102	39	108.8045	0.131	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:1:1:	4:3:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4,6]C[6a]H)(C[4]C[4,6]O)(CCHH){4|C<3>}	H(CN[4]CH)	108.5150	0.062	2	108.5150	0.004	2	108.7962	0.102	39	108.8045	0.131	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:1:1:	4:3:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]S)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]S)(CCHH){1|C<4>,1|H<1>}	H(CN[4]CH)	109.2180	0.037	2	109.2180	0.001	2	108.7962	0.102	39	108.8045	0.131	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:1:1:	4:3:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH){1|H<1>,1|O<2>,2|C<3>}	H(CN[4]CH)	108.8741	0.341	18	108.8741	0.116	18	108.7962	0.102	39	108.8045	0.131	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:1:1:	4:3:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CN[4]HH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CN[4]HH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH){1|H<1>,1|N<2>,2|C<3>}	H(CN[4]CH)	109.2730	0.000	1	108.7024	0.071	13	108.7962	0.102	39	108.8045	0.131	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:1:1:	4:3:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CN[4]HH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CN[4]HH)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]O)(CCHH){1|H<1>,1|O<2>,2|C<3>}	H(CN[4]CH)	108.6548	0.214	12	108.7024	0.071	13	108.7962	0.102	39	108.8045	0.131	43	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	10:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Nb[7x3,4]-10:C[4]-3:C-4:	C-4:	C(N[4]Nb[7x3,4]C[4])(CH3)2(H)	N[4](Nb[7x3,4]Nb[7x3,4]C[3,3,5]5N[3]2N[4])(C[4]N[4]C)(CCCH)	H(CN[4]CC)	C(N[4]Nb[7x3,4]C[4])(CH3)2(H)	N[4](Nb[7x3,4]Nb[7x3,4]C[3,3,5]5N[3]2N[4])(C[4]N[4]C)(CCCH){11|C<4>,2|N<3>}	H(CN[4]CC)	106.5498	1.035	4	106.5498	1.072	4	106.5498	1.072	4	106.5498	1.072	4	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	3:3:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-3:B[4]-3:C-4:	C-4:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(B[4]N[4]N)(CCCH)	H(CN[4]CC)	C(N[4]B[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(B[4]N[4]N)(CCCH){1|C<4>,2|C<3>}	H(CN[4]CC)	107.3240	0.000	1	107.3240	0.000	1	107.3240	0.000	1	107.7050	0.290	2	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	3:3:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-3:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]P[4]N)(C[4]P[4]O)(CCCH)	H(CN[4]CC)	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]P[4]N)(C[4]P[4]O)(CCCH){1|C<4>,1|W<6>}	H(CN[4]CC)	108.0860	0.000	1	108.0860	0.000	1	108.0860	0.000	1	107.7050	0.290	2	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	3:4:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-3:Ge[4]-4:C-4:	C-4:	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]MnC)(CCCH)	H(CN[4]CC)	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]MnC)(CCCH){1|C<4>,2|C<3>}	H(CN[4]CC)	107.9128	0.150	6	107.9128	0.023	6	107.9219	0.022	8	107.9219	0.022	8	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	3:4:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-3:Ge[4]-4:C-4:	C-4:	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]RuC)(CCCH)	H(CN[4]CC)	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Ge[4]N[4]RuC)(CCCH){1|C<4>,2|C<3>}	H(CN[4]CC)	107.9490	0.199	2	107.9490	0.040	2	107.9219	0.022	8	107.9219	0.022	8	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	3:5:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-3:Si[4]-5:C-4:	C-4:	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH)	H(CN[4]CC)	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(Si[4]N[4]FFO)(CCCH){1|C<4>,2|C<3>}	H(CN[4]CC)	107.7930	0.281	2	107.7930	0.079	2	107.7930	0.079	2	107.7930	0.079	2	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	B[4]-4:C[4]-3:C-4:	C-4:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6]2N[4])(C[4]N[4]N)(CCCH)	H(CN[4]CC)	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6]2N[4])(C[4]N[4]N)(CCCH){1|C<3>,2|H<1>,4|C<4>}	H(CN[4]CC)	108.3840	0.000	1	108.3840	0.000	1	107.7863	0.280	3	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	B[4]-4:C[4]-3:C-4:	C-4:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]N[4]H)(CCCH)	H(CN[4]CC)	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]N[4]H)(CCCH){1|C<4>,4|C<3>}	H(CN[4]CC)	107.4875	0.153	2	107.4875	0.024	2	107.7863	0.280	3	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4,5]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4,5]C[4])(CH3)2(H)	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(CCCH)	H(CN[4]CC)	C(N[4]C[4,5]C[4])(CH3)2(H)	N[4](C[4,5]C[4,5]C[5]H)(C[4]C[4,5]O)(CCCH){1|C<4>,2|H<1>,2|O<2>}	H(CN[4]CC)	107.7330	0.000	1	107.7330	0.000	1	107.7330	0.000	1	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CC)(C[4]C[4]C)(CCCH)	H(CN[4]CC)	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CC)(C[4]C[4]C)(CCCH){1|H<1>,1|N<3>}	H(CN[4]CC)	107.0510	0.000	1	107.0510	0.000	1	107.4326	0.160	5	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CC)(C[4]C[4]O)(CCCH)	H(CN[4]CC)	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CC)(C[4]C[4]O)(CCCH){1|C<3>,1|O<2>}	H(CN[4]CC)	107.7650	0.444	2	107.7650	0.197	2	107.4326	0.160	5	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCCH)	H(CN[4]CC)	C(N[4]C[4]2)(CH3)2(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCCH){1|H<1>,1|O<2>}	H(CN[4]CC)	107.2910	0.191	2	107.2910	0.036	2	107.4326	0.160	5	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Ga[4]-4:C[4]-3:C-4:	C-4:	C(N[4]Ga[4]C[4])(CH3)2(H)	N[4](Ga[4]N[4]ClFe)(C[4]N[4]C)(CCCH)	H(CN[4]CC)	C(N[4]Ga[4]C[4])(CH3)2(H)	N[4](Ga[4]N[4]ClFe)(C[4]N[4]C)(CCCH){1|C<4>}	H(CN[4]CC)	109.2270	0.072	2	109.2270	0.005	2	109.2270	0.005	2	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Ge[4]-4:C[4]-3:C-4:	C-4:	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]ClFe)(C[4]N[4]C)(CCCH)	H(CN[4]CC)	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]ClFe)(C[4]N[4]C)(CCCH){1|C<4>}	H(CN[4]CC)	108.9765	0.108	4	108.9765	0.012	4	108.8408	0.058	6	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Ge[4]-4:C[4]-3:C-4:	C-4:	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]FeN)(C[4]N[4]C)(CCCH)	H(CN[4]CC)	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]FeN)(C[4]N[4]C)(CCCH){1|C<4>}	H(CN[4]CC)	108.5695	0.182	2	108.5695	0.033	2	108.8408	0.058	6	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	In[4]-4:C[4]-3:C-4:	C-4:	C(N[4]In[4]C[4])(CH3)2(H)	N[4](In[4]N[4]NN)(C[4]N[4]C)(CCCH)	H(CN[4]CC)	C(N[4]In[4]C[4])(CH3)2(H)	N[4](In[4]N[4]NN)(C[4]N[4]C)(CCCH){1|C<4>}	H(CN[4]CC)	109.2905	0.016	2	109.2905	0.000	2	109.2905	0.000	2	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	P[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]P[4])(CH3)2(H)	N[4](P[4]S[4]CW)(C[4]S[4]N)(CCCH)	H(CN[4]CC)	C(N[4]C[4]P[4])(CH3)2(H)	N[4](P[4]S[4]CW)(C[4]S[4]N)(CCCH)	H(CN[4]CC)	107.2710	0.000	1	107.2710	0.000	1	107.2710	0.000	1	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:Si-4:Si-4:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(SiC3)2(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CSi2H)	H(CN[4]Si2)	C(N[4]C[4]2)(SiC3)2(H)	N[4](C[4]C[4]CH)(C[4]C[4]O)(CSi2H){1|C<4>,1|N<3>}	H(CN[4]Si2)	104.2515	0.132	2	104.2515	0.017	2	104.2515	0.017	2	107.9140	2.018	22	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:4:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-4:Si[4]-4:C-4:	C-4:	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4]C)(Si[4]N[4]CN)(CCCH)	H(CN[4]CC)	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4]C)(Si[4]N[4]CN)(CCCH){1|C<4>,2|C<3>}	H(CN[4]CC)	107.4380	0.000	1	107.4380	0.000	1	107.4380	0.000	1	107.8505	0.340	2	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	4:4:4:	4:	N[4]-3:C-4:C-4:H-1:	P[4,6]-4:P[4,6]-4:C-4:	C-4:	C(N[4]P[4,6]2)(CH3)2(H)	N[4](P[4,6]N[4]N[6]2)2(CCCH)	H(CN[4]CC)	C(N[4]P[4,6]2)(CH3)2(H)	N[4](P[4,6]N[4]N[6]2)2(CCCH){1|C<4>,4|P<4>}	H(CN[4]CC)	108.2630	0.000	1	108.2630	0.000	1	108.2630	0.000	1	107.8505	0.340	2	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	5:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Ga[4,4]-5:C[4]-3:C-4:	C-4:	C(N[4]Ga[4,4]C[4])(CH3)2(H)	N[4](Ga[4,4]N[4]3Cl)(C[4]N[4]C)(CCCH)	H(CN[4]CC)	C(N[4]Ga[4,4]C[4])(CH3)2(H)	N[4](Ga[4,4]N[4]3Cl)(C[4]N[4]C)(CCCH){1|C<3>,3|C<4>}	H(CN[4]CC)	108.0915	0.363	2	108.0915	0.132	2	108.0915	0.132	2	107.7171	0.705	11	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	5:3:4:	4:	N[4]-3:C-4:C-4:H-1:	In[4,4]-5:C[4]-3:C-4:	C-4:	C(N[4]In[4,4]C[4])(CH3)2(H)	N[4](In[4,4]N[4]3Cl)(C[4]N[4]C)(CCCH)	H(CN[4]CC)	C(N[4]In[4,4]C[4])(CH3)2(H)	N[4](In[4,4]N[4]3Cl)(C[4]N[4]C)(CCCH){1|C<3>,3|C<4>}	H(CN[4]CC)	108.5630	0.519	2	108.5630	0.269	2	108.5630	0.269	2	107.7171	0.705	11	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	5:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-5:C[4]-3:C-4:	C-4:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Al)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Al)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	H(CN[4]CC)	108.0135	0.722	2	108.0135	0.521	2	107.4618	0.960	5	107.7171	0.705	11	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	5:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-5:C[4]-3:C-4:	C-4:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Fe)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Fe)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	H(CN[4]CC)	107.0940	1.073	3	107.0940	1.151	3	107.4618	0.960	5	107.7171	0.705	11	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	5:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,5]-5:C[4]-3:C-4:	C-4:	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]C[5]2N[4]N)(C[4]C[6a]N[4])(CCCH){1|C<4>,2|H<1>,6|C<3>}	H(CN[4]CC)	107.1350	0.310	2	107.1350	0.096	2	107.1350	0.096	2	107.7171	0.705	11	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	In[3x4]-6:C[4]-3:C-4:	C-4:	C(N[4]In[3x4]C[4])(CH3)2(H)	N[4](In[3x4]N[4]5)(C[4]N[4]N)(CCCH)	H(CN[4]CC)	C(N[4]In[3x4]C[4])(CH3)2(H)	N[4](In[3x4]N[4]5)(C[4]N[4]N)(CCCH){2|C<3>,5|C<4>}	H(CN[4]CC)	108.5326	0.116	15	108.5326	0.013	15	108.5326	0.013	15	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Nb[3,4]-6:C[4]-3:C-4:	C-4:	C(N[4]Nb[3,4]C[4])(CH3)2(H)	N[4](Nb[3,4]C[3,6]C[3]N[4]CN)(C[4]N[4]N)(CCCH)	H(CN[4]CC)	C(N[4]Nb[3,4]C[4])(CH3)2(H)	N[4](Nb[3,4]C[3,6]C[3]N[4]CN)(C[4]N[4]N)(CCCH){2|H<1>,3|C<3>}	H(CN[4]CC)	108.1460	0.000	1	108.1460	0.000	1	108.1460	0.000	1	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,4,5]-6:C[4]-3:C-4:	C-4:	C(N[4]Si[4,4,5]C[4])(CH3)2(H)	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,4,5]C[4])(CH3)2(H)	N[4](Si[4,4,5]N[4]3O[5]2)(C[4]C[6a]N[4])(CCCH){3|C<4>,5|C<3>}	H(CN[4]CC)	107.3175	0.754	8	107.3175	0.569	8	107.3175	0.569	8	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-6:C[4]-3:C-4:	C-4:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3CC)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	H(CN[4]CC)	107.1100	0.876	4	107.1100	0.767	4	107.5005	0.553	18	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-6:C[4]-3:C-4:	C-4:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Cl2)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	H(CN[4]CC)	107.0187	0.635	4	107.0187	0.403	4	107.5005	0.553	18	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-6:C[4]-3:C-4:	C-4:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3FF)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	H(CN[4]CC)	108.3462	0.205	4	108.3462	0.042	4	107.5005	0.553	18	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-6:C[4]-3:C-4:	C-4:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3NN)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	H(CN[4]CC)	107.5182	0.522	6	107.5182	0.272	6	107.5005	0.553	18	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,5,5]-6:C[4]-3:C-4:	C-4:	C(N[4]Si[4,5,5]C[4])(CH3)2(H)	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,5,5]C[4])(CH3)2(H)	N[4](Si[4,5,5]N[5,6]N[4]O[5]3)(C[4]C[6a]N[4])(CCCH){1|C<4>,7|C<3>}	H(CN[4]CC)	107.7450	0.013	2	107.7450	0.000	2	107.7450	0.000	2	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,5]-6:C[4]-3:C-4:	C-4:	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]Br2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	H(CN[4]CC)	107.3045	1.283	2	107.3045	1.647	2	107.6875	0.339	10	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,5]-6:C[4]-3:C-4:	C-4:	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]Cl2)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	H(CN[4]CC)	107.5475	0.189	2	107.5475	0.036	2	107.6875	0.339	10	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	3:4:4:1:	6:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,5]-6:C[4]-3:C-4:	C-4:	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,5]C[4])(CH3)2(H)	N[4](Si[4,5]N[5,6]N[4]O[5]NN)(C[4]C[6a]N[4])(CCCH){1|C<4>,5|C<3>}	H(CN[4]CC)	107.8618	0.413	6	107.8618	0.171	6	107.6875	0.339	10	107.8157	0.536	54	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[6]-4:N[4]-3:H-1:	C-4:C[4]-4:C[4]-3:	C-4:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O)	H(CC[5]C[6]N[4])	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O){1|C<4>,1|H<1>}	H(CC[5]C[6]N[4])	105.6880	0.000	1	106.3015	0.753	2	106.3015	0.753	2	106.3015	0.753	2	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP2	C	N[4]	H	4:4:3:1:	4:4:3:	4:	C[5]-4:C[6]-4:N[4]-3:H-1:	C-4:C[4]-4:C[4]-3:	C-4:	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O)	H(CC[5]C[6]N[4])	C(C[5]C[5]O[5]H)(C[6]S[6]2H)(N[4]C[4]2)(H)	N[4](CC[5]C[6]H)(C[4]C[4]CH)(C[4]C[4]O){1|H<1>,1|N<3>}	H(CC[5]C[6]N[4])	106.9150	0.000	1	106.3015	0.753	2	106.3015	0.753	2	106.3015	0.753	2	108.2805	1.043	224	108.2810	1.033	226
490	74	951	0:SP3_SP-NON_SP3	C	N[4,6]	H	3:3:1:1:	4:4:4:	4:	N[4,6]-3:C-3:H-1:H-1:	C[4,6,6]-4:C[4,6,6]-4:C-4:	C-4:	C(N[4,6]C[4,6,6]2)(CCH)(H)2	N[4,6](C[4,6,6]C[4,6]C[6,6]H)2(CCHH)	H(CN[4,6]CH)	C(N[4,6]C[4,6,6]2)(CCH)(H)2	N[4,6](C[4,6,6]C[4,6]C[6,6]H)2(CCHH){1|C<3>,1|N<4>,5|H<1>}	H(CN[4,6]CH)	109.2585	0.022	2	109.2585	0.000	2	109.2585	0.000	2	109.2585	0.000	2	108.5042	1.314	8	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4,6]	H	3:3:3:1:	3:3:4:	4:	N[4,6]-3:C[6a]-3:C[6a]-3:H-1:	P[4,6,6]-3:P[4,6,6]-3:C-4:	C-4:	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC[6a]2H)	H(CN[4,6]C[6a]2)	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6])2(CC[6a]2H){1|C<4>,3|C<3>}	H(CN[4,6]C[6a]2)	108.7627	0.201	4	108.7627	0.040	4	108.7627	0.040	4	108.7627	0.040	4	108.5042	1.314	8	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4,6]	H	3:3:3:1:	4:3:4:	4:	N[4,6]-3:C[6a]-3:C[6a]-3:H-1:	P[4,6,6]-4:P[4,6,6]-3:C-4:	C-4:	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6]Ir)(P[4,6,6]N[4,6]N[6,6])(CC[6a]2H)	H(CN[4,6]C[6a]2)	C(N[4,6]P[4,6,6]2)(C[6a]C[6a]2)2(H)	N[4,6](P[4,6,6]N[4,6]N[6,6]Ir)(P[4,6,6]N[4,6]N[6,6])(CC[6a]2H){1|C<4>,3|C<3>}	H(CN[4,6]C[6a]2)	107.2330	2.107	2	107.2330	4.440	2	107.2330	4.440	2	107.2330	4.440	2	108.5042	1.314	8	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]C[6]H)(C[4]C[4]O)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]C[6]H)(C[4]C[4]O)(CC[6a]HH){1|Cl<1>,2|C<4>,2|H<1>}	H(CC[6a]N[4]H)	109.4185	0.042	2	109.4185	0.002	2	109.5345	0.019	4	109.5345	0.019	4	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]C)(C[4]C[4]N)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]C)(C[4]C[4]N)(CC[6a]HH){1|H<1>,3|C<3>}	H(CC[6a]N[4]H)	109.6505	0.028	2	109.6505	0.001	2	109.5345	0.019	4	109.5345	0.019	4	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH){1|H<1>,1|O<2>}	H(CC[6a]N[4]H)	108.1725	2.285	2	108.5782	1.959	4	108.9958	1.089	8	109.2584	0.666	22	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]HH){2|H<1>}	H(CC[6a]N[4]H)	108.9840	0.016	2	108.5782	1.959	4	108.9958	1.089	8	109.2584	0.666	22	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[4]-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]HH)	H(CC[6a]N[4]H)	C(C[6a]C[6a]2)(N[4]C[4]2)(H)2	N[4](C[4]C[6a]C[4]H)(C[4]C[4]CH)(CC[6a]HH){2|C<3>,2|H<1>}	H(CC[6a]N[4]H)	109.4133	0.341	4	109.4133	0.116	4	108.9958	1.089	8	109.2584	0.666	22	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:1:1:	4:4:4:	4:	N[4]-3:C-3:H-1:H-1:	C[4,4]-4:C[4]-4:C-4:	C-4:	C(N[4]C[4,4]C[4])(CCH)(H)2	N[4](C[4,4]C[4]3)(C[4]C[4]CH)(CCHH)	H(CN[4]CH)	C(N[4]C[4,4]C[4])(CCH)(H)2	N[4](C[4,4]C[4]3)(C[4]C[4]CH)(CCHH){1|C<3>,1|N<3>,5|H<1>}	H(CN[4]CH)	108.8095	0.019	2	108.8095	0.000	2	108.8095	0.000	2	109.2584	0.666	22	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:1:1:	4:4:4:	4:	N[4]-3:C-3:H-1:H-1:	C[4,6]-4:C[4]-4:C-4:	C-4:	C(N[4]C[4,6]C[4])(CCH)(H)2	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH)	H(CN[4]CH)	C(N[4]C[4,6]C[4])(CCH)(H)2	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH){1|C<3>,1|N<3>,3|H<1>}	H(CN[4]CH)	109.2390	0.024	2	109.2390	0.001	2	109.2390	0.001	2	109.2584	0.666	22	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:1:1:	4:4:4:	4:	N[4]-3:C-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]CH)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CC)(C[4]C[4]CH)(CCHH){1|C<3>,1|H<1>}	H(CN[4]CH)	108.9520	0.000	1	108.9520	0.000	1	109.4671	0.064	8	109.2584	0.666	22	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:1:1:	4:4:4:	4:	N[4]-3:C-3:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CH)2(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CCH)(H)2	N[4](C[4]C[4]CH)2(CCHH){1|C<3>,1|H<1>}	H(CN[4]CH)	109.5407	0.154	7	109.5407	0.024	7	109.4671	0.064	8	109.2584	0.666	22	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:1:1:	4:4:4:	4:	N[4]-3:C[6a]-3:H-1:H-1:	C[4,5]-4:C[4]-4:C-4:	C-4:	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5,5]H)(C[4]C[4,5]HH)(CC[6a]HH)	H(CC[6a]N[4]H)	C(N[4]C[4,5]C[4])(C[6a]C[6a]2)(H)2	N[4](C[4,5]C[4,5]C[5,5]H)(C[4]C[4,5]HH)(CC[6a]HH){1|C<4>,2|H<1>,2|O<2>}	H(CC[6a]N[4]H)	109.9420	1.918	2	109.9420	3.677	2	109.9420	3.677	2	109.2584	0.666	22	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[4]-3:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[3,4]HH)2(CC[6a]2H)	H(CC[6a]2N[4])	C(C[6a]C[6a]2)2(N[4]C[4]2)(H)	N[4](C[4]C[3,4]HH)2(CC[6a]2H){1|C<4>,1|O<2>}	H(CC[6a]2N[4])	108.4600	0.000	1	108.4600	0.000	1	108.4600	0.000	1	108.7920	0.220	2	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:N[4]-3:C-3:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[4]C[4]2)(CHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH)	H(CC[6a]N[4]C)	C(C[6a]C[6a]2)(N[4]C[4]2)(CHO)(H)	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CC[6a]CH){1|H<1>,1|O<1>}	H(CC[6a]N[4]C)	109.1240	0.000	1	109.1240	0.000	1	109.1240	0.000	1	108.7920	0.220	2	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:1:1:	4:3:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-3:C-4:	C-4:	C(N[4]C[4]2)(CCHI)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CCHI)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]O)(CCHH){2|H<1>}	H(CN[4]CH)	109.9555	0.025	2	109.9555	0.001	2	109.9555	0.001	2	109.9555	0.001	2	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:1:1:	4:4:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4,6]-4:C[4]-4:C-4:	C-4:	C(N[4]C[4,6]C[4])(CCHH)(H)2	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH)	H(CN[4]CH)	C(N[4]C[4,6]C[4])(CCHH)(H)2	N[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]CH)(CCHH){1|C<3>,1|N<3>,3|H<1>}	H(CN[4]CH)	109.3540	0.014	2	109.3540	0.000	2	109.3540	0.000	2	108.9166	0.146	15	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:1:1:	4:4:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)(C[4]C[4]HH)(CCHH){1|H<1>,1|O<2>}	H(CN[4]CH)	109.1207	0.032	3	109.1207	0.001	3	108.8504	0.138	5	108.9166	0.146	15	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:1:1:	4:4:4:	4:	N[4]-3:C-4:H-1:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)2(CCHH)	H(CN[4]CH)	C(N[4]C[4]2)(CCHH)(H)2	N[4](C[4]C[4]CH)2(CCHH){1|C<3>,1|H<1>}	H(CN[4]CH)	108.4450	0.058	2	108.4450	0.003	2	108.8504	0.138	5	108.9166	0.146	15	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:1:1:	4:4:4:	4:	N[4]-3:C-4:H-1:H-1:	Ga[4]-4:Ga[4]-4:C-4:	C-4:	C(N[4]Ga[4]2)(CC3)(H)2	N[4](Ga[4]N[4]HN)2(CCHH)	H(CN[4]CH)	C(N[4]Ga[4]2)(CC3)(H)2	N[4](Ga[4]N[4]HN)2(CCHH){1|C<4>}	H(CN[4]CH)	108.2705	0.062	2	108.2705	0.004	2	108.2705	0.004	2	108.9166	0.146	15	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:1:1:	4:4:4:	4:	N[4]-3:C-4:H-1:H-1:	P[4,6]-4:P[4,6]-4:C-4:	C-4:	C(N[4]P[4,6]2)(CCHH)(H)2	N[4](P[4,6]N[4]N[6]2)2(CCHH)	H(CN[4]CH)	C(N[4]P[4,6]2)(CCHH)(H)2	N[4](P[4,6]N[4]N[6]2)2(CCHH){1|C<4>,4|P<4>}	H(CN[4]CH)	109.1525	0.032	4	109.1525	0.001	4	109.1525	0.001	4	108.9166	0.146	15	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:1:1:	4:4:4:	4:	N[4]-3:C-4:H-1:H-1:	P[4]-4:P[4]-4:C-4:	C-4:	C(N[4]P[4]2)(CH3)(H)2	N[4](P[4]N[4]NS)2(CCHH)	H(CN[4]CH)	C(N[4]P[4]2)(CH3)(H)2	N[4](P[4]N[4]NS)2(CCHH){1|C<4>}	H(CN[4]CH)	108.8190	0.047	2	108.8190	0.002	2	108.8190	0.002	2	108.9166	0.146	15	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:1:1:	5:3:4:	4:	N[4]-3:C-4:H-1:H-1:	Nb[4]-5:C[4]-3:C-4:	C-4:	C(N[4]Nb[4]C[4])(CH3)(H)2	N[4](Nb[4]N[4]N3)(C[4]N[4]N)(CCHH)	H(CN[4]CH)	C(N[4]Nb[4]C[4])(CH3)(H)2	N[4](Nb[4]N[4]N3)(C[4]N[4]N)(CCHH){1|C<4>}	H(CN[4]CH)	108.6080	0.007	2	108.6080	0.000	2	108.6080	0.000	2	108.6080	0.000	2	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:4:1:	3:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Ge[4]-3:C[4]-3:C-4:	C-4:	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]N)(C[4]N[4]C)(CCCH)	H(CN[4]CC)	C(N[4]Ge[4]C[4])(CH3)2(H)	N[4](Ge[4]N[4]N)(C[4]N[4]C)(CCCH){1|C<4>}	H(CN[4]CC)	108.8615	0.120	2	108.8615	0.014	2	108.8615	0.014	2	108.8615	0.014	2	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:4:1:	3:4:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-3:B[4]-4:C-4:	C-4:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(B[4]N[4]ClFe)(CCCH)	H(CN[4]CC)	C(N[4]B[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4])(B[4]N[4]ClFe)(CCCH){1|C<4>,2|C<3>}	H(CN[4]CC)	104.4625	0.910	4	104.4625	0.829	4	104.4625	0.829	4	104.4625	0.829	4	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	B[4,6,6]-4:C[4]-3:C-4:	C-4:	C(N[4]B[4,6,6]C[4])(CH3)2(H)	N[4](B[4,6,6]C[6,6]2N[4])(C[4]N[4]N)(CCCH)	H(CN[4]CC)	C(N[4]B[4,6,6]C[4])(CH3)2(H)	N[4](B[4,6,6]C[6,6]2N[4])(C[4]N[4]N)(CCCH){1|C<3>,2|H<1>,4|C<4>}	H(CN[4]CC)	107.3440	0.000	1	107.3440	0.000	1	107.3440	0.000	1	107.6416	0.093	5	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	B[4]-4:C[4]-3:C-4:	C-4:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]C[6a]N[4])(CCCH){1|C<4>,6|C<3>}	H(CN[4]CC)	107.7815	0.084	2	107.7815	0.007	2	107.7160	0.087	4	107.6416	0.093	5	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:4:1:	4:3:4:	4:	N[4]-3:C-4:C-4:H-1:	B[4]-4:C[4]-3:C-4:	C-4:	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]N[4]C)(CCCH)	H(CN[4]CC)	C(N[4]B[4]C[4])(CH3)2(H)	N[4](B[4]C[6a]2N[4])(C[4]N[4]C)(CCCH){1|C<4>,4|C<3>}	H(CN[4]CC)	107.6505	0.487	2	107.6505	0.237	2	107.7160	0.087	4	107.6416	0.093	5	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:4:1:	4:4:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-4:C[4]-4:C-4:	C-4:	C(N[4]C[4]2)(CCHH)2(H)	N[4](C[4]C[4]HH)2(CCCH)	H(CN[4]CC)	C(N[4]C[4]2)(CCHH)2(H)	N[4](C[4]C[4]HH)2(CCCH){2|N<3>}	H(CN[4]CC)	109.8160	0.000	1	109.8160	0.000	1	109.8160	0.000	1	108.9360	0.649	3	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:4:1:	4:4:4:	4:	N[4]-3:C-4:C-4:H-1:	C[4]-4:Si[4]-4:C-4:	C-4:	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4]C)(Si[4]N[4]CN)(CCCH)	H(CN[4]CC)	C(N[4]Si[4]C[4])(CH3)2(H)	N[4](C[4]C[6a]N[4]C)(Si[4]N[4]CN)(CCCH){1|C<4>,2|C<3>}	H(CN[4]CC)	108.7580	0.000	1	108.7580	0.000	1	108.7580	0.000	1	108.9360	0.649	3	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:4:1:	4:4:4:	4:	N[4]-3:C-4:C-4:H-1:	P[4,6]-4:P[4,6]-4:C-4:	C-4:	C(N[4]P[4,6]2)(CH3)2(H)	N[4](P[4,6]N[4]N[6]2)2(CCCH)	H(CN[4]CC)	C(N[4]P[4,6]2)(CH3)2(H)	N[4](P[4,6]N[4]N[6]2)2(CCCH){1|C<4>,4|P<4>}	H(CN[4]CC)	108.2340	0.000	1	108.2340	0.000	1	108.2340	0.000	1	108.9360	0.649	3	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:4:1:	5:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-5:C[4]-3:C-4:	C-4:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Al)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Al)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	H(CN[4]CC)	105.2595	0.964	2	105.2595	0.929	2	105.6863	1.011	3	105.6863	1.011	3	108.5614	2.217	64	108.5551	2.097	72
490	74	951	0:SP3_SP-NON_SP3	C	N[4]	H	3:4:4:1:	5:3:4:	4:	N[4]-3:C-4:C-4:H-1:	Si[4,4]-5:C[4]-3:C-4:	C-4:	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Fe)(C[4]C[6a]N[4])(CCCH)	H(CN[4]CC)	C(N[4]Si[4,4]C[4])(CH3)2(H)	N[4](Si[4,4]N[4]3Fe)(C[4]C[6a]N[4])(CCCH){3|C<3>,3|C<4>}	H(CN[4]CC)	106.5400	0.000	1	106.5400	0.000	1	105.6863	1.011	3	105.6863	1.011	3	108.5614	2.217	64	108.5551	2.097	72
490	74	983	0:SP3_SP1_SP2	C	N[4]	C	3:4:4:2:	3:4:4:	4:1:	N[4]-3:C-4:C-4:C-2:	C[4]-3:Ga[4]-4:C-4:	C-4:H-1:	C(N[4]Ga[4]C[4])(CH3)2(CH)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3)	C(CN[4]CC)(H)	C(N[4]Ga[4]C[4])(CH3)2(CH)	N[4](C[4]C[6a]N[4])(Ga[4]N[4]2C)(CC3){2|Ga<4>,3|C<3>}	C(CN[4]CC)(H)	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1	105.6300	0.000	1
490	82	951	0:SP3_SP-NON_SPD5	C	Ga[5,6,6]	H	5:1:1:1:	3:3:2:2:4:	4:	Ga[5,6,6]-5:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:C-4:	C-4:	C(Ga[5,6,6]N[5,6]2O[6]2)(H)3	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(CH3)	H(CGa[5,6,6]HH)	C(Ga[5,6,6]N[5,6]2O[6]2)(H)3	Ga[5,6,6](N[5,6]C[5]C[6])2(O[6]C[6])2(CH3){2|C<4>,4|C<3>,4|H<1>}	H(CGa[5,6,6]HH)	109.4560	0.067	3	109.4560	0.004	3	109.4560	0.004	3	109.4560	0.004	3	109.4560	0.004	3	109.4560	0.004	3
490	86	951	0:SP3_SP-NON_SPD5	C	N[4,4]	H	5:1:1:1:	5:5:4:4:1:	4:	N[4,4]-5:H-1:H-1:H-1:	C[4x4,5,5]-5:C[4x4,5,5]-5:C-4:C-4:H-1:	C-4:	C(N[4,4]C[4x4,5,5]2CH)(H)3	N[4,4](C[4x4,5,5]C[4x4,6x5,6]2HH)2(CH3)2(H)	H(CN[4,4]HH)	C(N[4,4]C[4x4,5,5]2CH)(H)3	N[4,4](C[4x4,5,5]C[4x4,6x5,6]2HH)2(CH3)2(H){1|N<4>,4|H<2>}	H(CN[4,4]HH)	109.6155	0.364	2	109.6155	0.133	2	109.6155	0.133	2	109.6155	0.133	2	109.6155	0.133	2	109.6155	0.133	2
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:3:4:1:	4:3:4:	4:1:1:1:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	108.2300	0.173	2	108.2300	0.030	2	108.2300	0.030	2	108.2300	0.030	2	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:1:	7:5:4:	4:1:1:1:	N[3]-3:C-4:C-4:H-1:	Nb[3,3]-7:P[3]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,3]P[3])(CH3)2(H)	N[3](Nb[3,3]N[3]P[3]2FeNN)(P[3]Nb[3,3]C[6a]2Fe)(CCCH)	C(CN[3]CH)(H)3	C(N[3]Nb[3,3]P[3])(CH3)2(H)	N[3](Nb[3,3]N[3]P[3]2FeNN)(P[3]Nb[3,3]C[6a]2Fe)(CCCH){1|C<4>,6|C<3>}	C(CN[3]CH)(H)3	110.9845	1.980	4	110.9845	3.921	4	110.9845	3.921	4	110.8222	2.421	6	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:1:	7:5:4:	4:1:1:1:	N[3]-3:C-4:C-4:H-1:	Nb[3x3]-7:P[3]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3Fe)(P[3]Nb[3x3]C[6a]2Fe)(CCCH)	C(CN[3]CH)(H)3	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3Fe)(P[3]Nb[3x3]C[6a]2Fe)(CCCH){2|C<4>,8|C<3>}	C(CN[3]CH)(H)3	110.4975	0.158	2	110.4975	0.025	2	110.4975	0.025	2	110.8222	2.421	6	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:1:	8:5:4:	4:1:1:1:	N[3]-3:C-4:C-4:H-1:	Nb[3x3]-8:P[3]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3CoN)(P[3]Nb[3x3]C[6a]2Co)(CCCH)	C(CN[3]CH)(H)3	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3CoN)(P[3]Nb[3x3]C[6a]2Co)(CCCH){2|C<4>,8|C<3>}	C(CN[3]CH)(H)3	110.7108	1.598	6	110.7108	2.552	6	110.7108	2.552	6	110.7108	2.552	6	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	B[3]-4:C[3]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[3]B[3]C[3])(CH3)3	N[3](B[3]C[3]C[5]C)(C[3]B[3]Mn)(CC3)	C(CN[3]CC)(H)3	C(N[3]B[3]C[3])(CH3)3	N[3](B[3]C[3]C[5]C)(C[3]B[3]Mn)(CC3){2|N<3>}	C(CN[3]CC)(H)3	108.8237	0.912	3	108.8237	0.831	3	108.8237	0.831	3	108.2086	1.993	5	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:4:	4:3:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Si[3]-4:C[3]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Si[3]C[3])(CCHH)(CH3)2	N[3](Si[3]C[6a]C[3]Mo)(C[3]C[6a]Si[3])(CC3)	C(CN[3]CC)(H)3	C(N[3]Si[3]C[3])(CCHH)(CH3)2	N[3](Si[3]C[6a]C[3]Mo)(C[3]C[6a]Si[3])(CC3){4|C<3>}	C(CN[3]CC)(H)3	107.2860	1.864	2	107.2860	3.474	2	107.2860	3.474	2	108.2086	1.993	5	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:4:	4:3:4:	4:4:1:1:	N[3]-3:C-4:C-4:C-4:	Si[3]-4:C[3]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[3]Si[3]C[3])(CCHH)(CH3)2	N[3](Si[3]C[6a]C[3]Mo)(C[3]C[6a]Si[3])(CC3)	C(CN[3]CC)(CC3)(H)2	C(N[3]Si[3]C[3])(CCHH)(CH3)2	N[3](Si[3]C[6a]C[3]Mo)(C[3]C[6a]Si[3])(CC3){4|C<3>}	C(CN[3]CC)(CC3)(H)2	103.7090	0.000	1	103.7090	0.000	1	103.7090	0.000	1	103.7090	0.000	1	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:4:	5:3:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Nb[3]-5:C[3]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3]C[3])(CH3)3	N[3](Nb[3]C[3]N3)(C[3]Nb[3]N)(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[3]C[3])(CH3)3	N[3](Nb[3]C[3]N3)(C[3]Nb[3]N)(CC3)	C(CN[3]CC)(H)3	109.0400	3.255	3	109.0400	10.595	3	109.0400	10.595	3	109.0400	10.595	3	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:4:	5:4:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Ga[3,3,4]-5:B[3,3]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Ga[3,3,4]B[3,3])(CH3)3	N[3](Ga[3,3,4]B[3,3]N[3,4]N[4]Cl)(B[3,3]Ga[3,3,4]N[3,4]C[6a])(CC3)	C(CN[3]CC)(H)3	C(N[3]Ga[3,3,4]B[3,3])(CH3)3	N[3](Ga[3,3,4]B[3,3]N[3,4]N[4]Cl)(B[3,3]Ga[3,3,4]N[3,4]C[6a])(CC3){1|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	C(CN[3]CC)(H)3	109.5050	2.062	3	109.5050	4.251	3	109.5050	4.251	3	109.5050	4.251	3	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:4:	6:4:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Nb[3,3,6]-6:C[3,3]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,3,6]C[3,3])(CH3)3	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,6]C[3,3])(CH3)3	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3){4|C<3>}	C(CN[3]CC)(H)3	108.6367	2.003	3	108.6367	4.010	3	108.6367	4.010	3	108.6367	4.010	3	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:4:	7:3:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Nb[3,6]-7:C[3]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,6]C[3])(CH3)3	N[3](Nb[3,6]C[3]N[6]2F3)(C[3]Nb[3,6]C[6a])(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[3,6]C[3])(CH3)3	N[3](Nb[3,6]C[3]N[6]2F3)(C[3]Nb[3,6]C[6a])(CC3){6|C<3>}	C(CN[3]CC)(H)3	107.7458	2.624	6	107.7458	6.883	6	107.7458	6.883	6	107.7458	6.883	6	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP2_SP3	C	N[3]	C	3:4:4:4:	7:4:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Nb[3,3,3x6]-7:C[3,3]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,3,3x6]C[3,3])(CH3)3	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,3x6]C[3,3])(CH3)3	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3){1|Si<4>,2|C<3>,2|C<4>}	C(CN[3]CC)(H)3	109.7120	2.374	3	109.7120	5.637	3	109.7120	5.637	3	109.7120	5.637	3	109.1465	5.335	38	109.1465	5.335	38
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:3:4:1:	4:3:4:	4:1:1:1:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	107.6900	0.000	1	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:3:4:1:	4:4:2:	4:1:1:1:	N[3]-3:C[6a]-3:C-4:H-1:	C[3]-4:C-4:O[3]-2:	C-4:H-1:H-1:H-1:	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3])	C(CC[6a]N[3]H)(H)3	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3]){2|C<3>,2|N<2>}	C(CC[6a]N[3]H)(H)3	107.9435	0.105	2	107.9435	0.011	2	107.6530	0.259	3	107.6530	0.259	3	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:3:4:1:	4:4:2:	4:1:1:1:	N[3]-3:C[6a]-3:C-4:H-1:	C[3]-4:C-4:O[3]-2:	C-4:H-1:H-1:H-1:	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3])	C(CC[6a]N[3]H)(H)3	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3]){1|C<3>,1|N<2>}	C(CC[6a]N[3]H)(H)3	107.0720	0.000	1	107.0720	0.000	1	107.6530	0.259	3	107.6530	0.259	3	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:3:4:1:	4:4:4:	4:1:1:1:	C[6a]-3:N[3]-3:C-4:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH){1|C<4>,1|O<1>,2|H<1>}	C(CC[6a]N[3]H)(H)3	107.8480	0.000	1	107.8480	0.000	1	107.8480	0.000	1	108.2134	0.061	5	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:3:4:1:	4:4:4:	4:1:1:1:	C[6a]-3:N[3]-3:C-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH){1|O<1>,2|C<4>,2|H<1>}	C(CC[6a]N[3]H)(H)3	108.2500	0.000	1	108.2500	0.000	1	108.2500	0.000	1	108.2134	0.061	5	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:3:4:1:	4:4:4:	4:1:1:1:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	108.1240	0.000	1	108.1240	0.000	1	108.3230	0.036	3	108.2134	0.061	5	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:3:4:1:	4:4:4:	4:1:1:1:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	108.3430	0.000	1	108.3430	0.000	1	108.3230	0.036	3	108.2134	0.061	5	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:3:4:1:	4:4:4:	4:1:1:1:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C-4:H-1:H-1:H-1:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH)	C(CC[6a]N[3]H)(H)3	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH){2|C<3>}	C(CC[6a]N[3]H)(H)3	108.5020	0.000	1	108.5020	0.000	1	108.3230	0.036	3	108.2134	0.061	5	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:1:1:	4:4:4:	4:1:1:1:	N[3]-3:C-4:H-1:H-1:	C[3,4]-4:C[3,4]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3]C[3,4]2)(CH3)(H)2	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH)	C(CN[3]HH)(H)3	C(N[3]C[3,4]2)(CH3)(H)2	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH){1|C<4>,1|H<1>}	C(CN[3]HH)(H)3	78.7317	0.000	1	78.7317	0.000	1	78.7317	0.000	1	78.7317	0.000	1	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:3:1:	4:3:4:	4:4:1:1:	N[3]-3:C-4:N-3:H-1:	C[3]-4:N[3]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN)	C(CN[3]HN)(CCHH)(H)2	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN){2|C<3>}	C(CN[3]HN)(CCHH)(H)2	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	108.0230	0.000	1	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:1:	4:3:4:	4:1:1:1:	N[3]-3:C-4:C-4:H-1:	P[3]-4:C[3]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[3]C[3]P[3])(CH3)2(H)	N[3](P[3]C[3]C[5]W)(C[3]P[3]N)(CCCH)	C(CN[3]CH)(H)3	C(N[3]C[3]P[3])(CH3)2(H)	N[3](P[3]C[3]C[5]W)(C[3]P[3]N)(CCCH){1|C<4>,2|C<3>}	C(CN[3]CH)(H)3	113.8260	2.770	2	113.8260	7.675	2	113.8260	7.675	2	113.8260	7.675	2	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:1:	7:4:4:	4:1:1:1:	N[3]-3:C-4:C-4:H-1:	Nb[3x3]-7:P[3]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3Cl)(P[3]Nb[3x3]C[6a]2)(CCCH)	C(CN[3]CH)(H)3	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3Cl)(P[3]Nb[3x3]C[6a]2)(CCCH){2|C<4>,8|C<3>}	C(CN[3]CH)(H)3	111.2415	0.702	6	111.2415	0.493	6	111.2415	0.493	6	111.2415	0.493	6	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:4:	4:4:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C[3]-4:C[3]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3]C[3]2)(CH3)3	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3)	C(CN[3]CC)(H)3	C(N[3]C[3]2)(CH3)3	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC3){2|C<3>}	C(CN[3]CC)(H)3	108.9019	4.863	9	108.9019	23.649	9	108.9019	23.649	9	108.9019	23.649	9	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:4:	4:5:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	B[3,3]-4:Ga[3,3,4]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Ga[3,3,4]B[3,3])(CH3)3	N[3](B[3,3]Ga[3,3,4]N[3,4]C[6a])(Ga[3,3,4]B[3,3]N[3,4]2Cl)(CC3)	C(CN[3]CC)(H)3	C(N[3]Ga[3,3,4]B[3,3])(CH3)3	N[3](B[3,3]Ga[3,3,4]N[3,4]C[6a])(Ga[3,3,4]B[3,3]N[3,4]2Cl)(CC3){1|Ga<5>,1|B<4>,2|C<3>,2|C<4>}	C(CN[3]CC)(H)3	109.4227	1.889	3	109.4227	3.569	3	109.4227	3.569	3	109.4227	3.569	3	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:4:	4:8:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	C[3,3]-4:Nb[6x3]-8:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[6x3]C[3,3])(CH3)3	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[6x3]C[3,3])(CH3)3	N[3](C[3,3]Nb[6x3]C[3,3]C)(Nb[6x3]C[3,3]5N[3]N)(CC3){1|C<3>,1|H<1>,3|C<4>}	C(CN[3]CC)(H)3	108.8153	2.890	3	108.8153	8.350	3	108.8153	8.350	3	108.8153	8.350	3	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:4:	6:4:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Nb[3,3,6]-6:C[3,3]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,3,6]C[3,3])(CH3)3	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]C)(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,6]C[3,3])(CH3)3	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]C)(CC3){4|C<3>}	C(CN[3]CC)(H)3	110.1043	2.295	6	110.1043	5.265	6	109.6808	4.206	12	109.9816	5.903	15	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:4:	6:4:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Nb[3,3,6]-6:C[3,3]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,3,6]C[3,3])(CH3)3	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,6]C[3,3])(CH3)3	N[3](Nb[3,3,6]C[3,3]N[6]2O[3]N)(C[3,3]Nb[3,3,6]O[3]O)(CC3){4|C<3>}	C(CN[3]CC)(H)3	109.2572	1.886	6	109.2572	3.558	6	109.6808	4.206	12	109.9816	5.903	15	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:4:	6:4:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Nb[3,6]-6:B[3,5]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,6]B[3,5])(CH3)3	N[3](Nb[3,6]B[3,5]N[6]2HN)(B[3,5]Nb[3,6]O[5]2)(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[3,6]B[3,5])(CH3)3	N[3](Nb[3,6]B[3,5]N[6]2HN)(B[3,5]Nb[3,6]O[5]2)(CC3){2|C<4>,4|C<3>}	C(CN[3]CC)(H)3	111.1850	3.934	3	111.1850	15.476	3	111.1850	15.476	3	109.9816	5.903	15	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:4:	6:5:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Nb[3,5,5]-6:C[3,5]-5:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,5,5]C[3,5])(CH3)3	N[3](Nb[3,5,5]C[3,5]C[5]N[5]O[5]N)(C[3,5]Nb[3,5,5]C[6a]C[5]H)(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[3,5,5]C[3,5])(CH3)3	N[3](Nb[3,5,5]C[3,5]C[5]N[5]O[5]N)(C[3,5]Nb[3,5,5]C[6a]C[5]H)(CC3){1|C<4>,1|H<1>,6|C<3>}	C(CN[3]CC)(H)3	110.1367	2.569	6	110.1367	6.600	6	110.1367	6.600	6	110.1367	6.600	6	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:4:	7:4:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Nb[3,3,3x6]-7:C[3,3]-4:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3,3,3x6]C[3,3])(CH3)3	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[3,3,3x6]C[3,3])(CH3)3	N[3](Nb[3,3,3x6]N[3,6,6]C[3,3]N[3x6]N[6,6]ClN)(C[3,3]Nb[3,3,3x6]N[3,6,6]O)(CC3){1|Si<4>,2|C<3>,2|C<4>}	C(CN[3]CC)(H)3	109.7593	2.183	9	109.7593	4.767	9	109.7593	4.767	9	109.7593	4.767	9	109.2316	20.669	70	109.2316	20.669	70
490	138	490	0:SP3_SP3_SP3	C	N[3]	C	3:4:4:4:	7:7:4:	4:1:1:1:	N[3]-3:C-4:C-4:C-4:	Nb[3x3]-7:Nb[3x3]-7:C-4:	C-4:H-1:H-1:H-1:	C(N[3]Nb[3x3]2)(CH3)3	N[3](Nb[3x3]Nb[3x3]Cl[3]N[3]N[6]2Cl)(Nb[3x3]Nb[3x3]Cl[3]N[3]N[6]Cl2)(CC3)	C(CN[3]CC)(H)3	C(N[3]Nb[3x3]2)(CH3)3	N[3](Nb[3x3]Nb[3x3]Cl[3]N[3]N[6]2Cl)(Nb[3x3]Nb[3x3]Cl[3]N[3]N[6]Cl2)(CC3){1|C<4>,6|C<3>}	C(CN[3]CC)(H)3	109.9055	1.737	6	109.9055	3.017	6	109.9055	3.017	6	109.9055	3.017	6	109.2316	20.669	70	109.2316	20.669	70
490	138	643	0:SP3_SP2_SP2	C	N[3]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	C[6a]-3:N[3]-3:H-1:H-1:	C[3]-4:C[3]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[3]HH)	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[3]HH){1|C<3>,2|H<1>}	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	110.9300	0.000	1	110.8400	4.441	5	110.8400	4.441	5
490	138	643	0:SP3_SP2_SP2	C	N[3]	C[6a]	3:3:1:1:	6:3:4:	3:3:4:	N[3]-3:C[6a]-3:H-1:H-1:	Nb[3,6]-6:C[3]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[3]Nb[3,6]C[3])(C[6a]C[6a]2)(H)2	N[3](Nb[3,6]C[3]N[6]2CN)(C[3]Nb[3,6]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[3]HH)	C(N[3]Nb[3,6]C[3])(C[6a]C[6a]2)(H)2	N[3](Nb[3,6]C[3]N[6]2CN)(C[3]Nb[3,6]C)(CC[6a]HH){4|C<3>}	C[6a](C[6a]C[6a]H)2(CN[3]HH){1|C<3>,2|H<1>}	112.8255	0.006	2	112.8255	0.000	2	112.8255	0.000	2	112.8255	0.000	2	110.8400	4.441	5	110.8400	4.441	5
490	138	643	0:SP3_SP2_SP2	C	N[3]	C[6a]	3:3:4:1:	4:3:4:	3:3:4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	108.8095	1.275	2	108.8095	1.625	2	108.8095	1.625	2	108.8095	1.625	2	110.8400	4.441	5	110.8400	4.441	5
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:1:1:	4:3:4:	3:3:4:	N[3]-3:C[6a]-3:H-1:H-1:	C[3]-4:N[3]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[3]C[3]N[3])(C[6a]C[6a]2)(H)2	N[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[3]HH)	C(N[3]C[3]N[3])(C[6a]C[6a]2)(H)2	N[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]HH)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(CN[3]HH){1|C<3>,2|H<1>}	110.3280	0.956	2	110.3280	0.914	2	110.3280	0.914	2	110.3280	0.914	2	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6a]-3:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]CH)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[3]HH)	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]CH)2(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[3]HH){1|C<3>,2|H<1>}	111.5630	1.318	2	111.5630	1.737	2	111.0418	1.029	4	111.0484	0.772	5	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6a]-3:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[3]HH)	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH){1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(CN[3]HH){1|C<3>,2|H<1>}	110.1580	0.000	1	110.1580	0.000	1	111.0418	1.029	4	111.0484	0.772	5	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:1:1:	4:4:4:	3:3:4:	C[6a]-3:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[3]HH)	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[3]HH){1|C<3>,2|H<1>}	110.8830	0.000	1	110.8830	0.000	1	111.0418	1.029	4	111.0484	0.772	5	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:1:1:	4:4:4:	3:3:4:	N[3]-3:C[6a]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[3]C[3,5]C[3])(C[6a]C[6a]2)(H)2	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH)	C[6a](C[6a]C[6a]H)2(CN[3]HH)	C(N[3]C[3,5]C[3])(C[6a]C[6a]2)(H)2	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(CN[3]HH){1|C<3>,2|H<1>}	111.0750	0.000	1	111.0750	0.000	1	111.0750	0.000	1	111.0484	0.772	5	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:3:1:	4:4:4:	4:3:3:	C[6a]-3:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)2(N[3]C[3]2)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	C[6a](CC[6a]N[3]H)(C[6a]C[6a]H)2	C(C[6a]C[6a]2)2(N[3]C[3]2)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	C[6a](CC[6a]N[3]H)(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.9210	1.714	2	108.9210	2.938	2	108.9210	2.938	2	108.9210	2.938	2	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:3:3:	4:4:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[3]-3:	C[3,5]-4:C[3,5]-4:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[3]C[3,5]2)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3)	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[3]C[3,5]2)	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CC[6a]3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.6905	2.826	11	108.6905	7.985	11	108.6905	7.985	11	108.5747	6.871	23	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:3:3:	4:4:4:	4:3:3:	C[6a]-3:C[6a]-3:C[6a]-3:N[3]-3:	C[3]-4:C[3]-4:C-4:	C-4:C[6a]-3:C[6a]-3:	C(C[6a]C[6a]2)3(N[3]C[3]2)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2	C(C[6a]C[6a]2)3(N[3]C[3]2)	N[3](C[3]C[3]CH)(C[3]C[3]HH)(CC[6a]3)	C[6a](CC[6a]2N[3])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	108.4686	2.541	12	108.4686	6.457	12	108.4686	6.457	12	108.5747	6.871	23	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:4:1:	4:3:4:	3:3:4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	110.6610	0.000	1	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:4:1:	4:4:2:	3:3:4:	N[3]-3:C[6a]-3:C-4:H-1:	C[3]-4:C-4:O[3]-2:	C[6a]-3:C[6a]-3:C-4:	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3])	C[6a](C[6a]C[6a]H)2(CN[3]CH)	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3]){2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	106.4630	1.039	2	106.4630	1.080	2	107.3567	2.936	3	107.3567	2.936	3	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:4:1:	4:4:2:	3:3:4:	N[3]-3:C[6a]-3:C-4:H-1:	C[3]-4:C-4:O[3]-2:	C[6a]-3:C[6a]-3:C-4:	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3])	C[6a](C[6a]C[6a]H)2(CN[3]CH)	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3]){1|C<3>,1|N<2>}	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	109.1440	0.000	1	109.1440	0.000	1	107.3567	2.936	3	107.3567	2.936	3	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:4:1:	4:4:4:	3:3:4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH){1|C<4>,1|O<1>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	109.2000	0.000	1	109.2000	0.000	1	109.2000	0.000	1	108.9656	0.493	5	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:4:1:	4:4:4:	3:3:4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH){1|O<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	108.0750	0.000	1	108.0750	0.000	1	108.0750	0.000	1	108.9656	0.493	5	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:4:1:	4:4:4:	3:3:4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	108.6980	0.000	1	108.6980	0.000	1	109.1843	0.489	3	108.9656	0.493	5	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:4:1:	4:4:4:	3:3:4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	108.8690	0.000	1	108.8690	0.000	1	109.1843	0.489	3	108.9656	0.493	5	108.9882	5.137	41	108.9882	5.137	41
490	138	643	0:SP3_SP2_SP3	C	N[3]	C[6a]	3:3:4:1:	4:4:4:	3:3:4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH)	C[6a](C[6a]C[6a]H)2(CN[3]CH)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH){2|C<3>}	C[6a](C[6a]C[6a]H)2(CN[3]CH){1|C<3>,2|H<1>}	109.9860	0.000	1	109.9860	0.000	1	109.1843	0.489	3	108.9656	0.493	5	108.9882	5.137	41	108.9882	5.137	41
490	138	951	0:SP3_SP-NON_SP2	C	N[3]	H	3:3:1:1:	4:3:4:	4:	C[6a]-3:N[3]-3:H-1:H-1:	C[3]-4:C[3]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HH)	H(CC[6a]N[3]H)	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]HH)	H(CC[6a]N[3]H)	109.4745	0.021	2	109.4745	0.000	2	109.4745	0.000	2	109.4745	0.000	2	108.5086	0.906	14	108.5086	0.906	14
490	138	951	0:SP3_SP-NON_SP2	C	N[3]	H	3:3:1:1:	6:3:4:	4:	N[3]-3:C[6a]-3:H-1:H-1:	Nb[3,6]-6:C[3]-3:C-4:	C-4:	C(N[3]Nb[3,6]C[3])(C[6a]C[6a]2)(H)2	N[3](Nb[3,6]C[3]N[6]2CN)(C[3]Nb[3,6]C)(CC[6a]HH)	H(CC[6a]N[3]H)	C(N[3]Nb[3,6]C[3])(C[6a]C[6a]2)(H)2	N[3](Nb[3,6]C[3]N[6]2CN)(C[3]Nb[3,6]C)(CC[6a]HH){4|C<3>}	H(CC[6a]N[3]H)	109.0295	0.144	4	109.0295	0.021	4	109.0295	0.021	4	109.0295	0.021	4	108.5086	0.906	14	108.5086	0.906	14
490	138	951	0:SP3_SP-NON_SP2	C	N[3]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	H(CC[6a]N[3]C)	108.6950	0.028	2	108.6950	0.001	2	108.6950	0.001	2	108.6950	0.001	2	108.5086	0.906	14	108.5086	0.906	14
490	138	951	0:SP3_SP-NON_SP2	C	N[3]	H	3:4:4:1:	7:5:4:	4:	N[3]-3:C-4:C-4:H-1:	Nb[3,3]-7:P[3]-5:C-4:	C-4:	C(N[3]Nb[3,3]P[3])(CH3)2(H)	N[3](Nb[3,3]N[3]P[3]2FeNN)(P[3]Nb[3,3]C[6a]2Fe)(CCCH)	H(CN[3]CC)	C(N[3]Nb[3,3]P[3])(CH3)2(H)	N[3](Nb[3,3]N[3]P[3]2FeNN)(P[3]Nb[3,3]C[6a]2Fe)(CCCH){1|C<4>,6|C<3>}	H(CN[3]CC)	107.7735	1.719	2	107.7735	2.955	2	107.7735	2.955	2	107.9563	1.578	3	108.5086	0.906	14	108.5086	0.906	14
490	138	951	0:SP3_SP-NON_SP2	C	N[3]	H	3:4:4:1:	7:5:4:	4:	N[3]-3:C-4:C-4:H-1:	Nb[3x3]-7:P[3]-5:C-4:	C-4:	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3Fe)(P[3]Nb[3x3]C[6a]2Fe)(CCCH)	H(CN[3]CC)	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3Fe)(P[3]Nb[3x3]C[6a]2Fe)(CCCH){2|C<4>,8|C<3>}	H(CN[3]CC)	108.3220	0.000	1	108.3220	0.000	1	108.3220	0.000	1	107.9563	1.578	3	108.5086	0.906	14	108.5086	0.906	14
490	138	951	0:SP3_SP-NON_SP2	C	N[3]	H	3:4:4:1:	8:5:4:	4:	N[3]-3:C-4:C-4:H-1:	Nb[3x3]-8:P[3]-5:C-4:	C-4:	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3CoN)(P[3]Nb[3x3]C[6a]2Co)(CCCH)	H(CN[3]CC)	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3CoN)(P[3]Nb[3x3]C[6a]2Co)(CCCH){2|C<4>,8|C<3>}	H(CN[3]CC)	107.5983	1.034	3	107.5983	1.069	3	107.5983	1.069	3	107.5983	1.069	3	108.5086	0.906	14	108.5086	0.906	14
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:1:1:1:	4:2:4:	4:	N[3]-3:H-1:H-1:H-1:	C[3]-4:O[3]-2:C-4:	C-4:	C(N[3]C[3]O[3])(H)3	N[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3)	H(CN[3]HH)	C(N[3]C[3]O[3])(H)3	N[3](C[3]C[6a]O[3]H)(O[3]C[3])(CH3){2|C<3>}	H(CN[3]HH)	109.4443	0.038	10	109.4443	0.001	10	109.4443	0.001	10	109.4443	0.001	10	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:1:1:1:	4:4:4:	4:	N[3]-3:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C-4:	C(N[3]C[3,5]2)(H)3	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	H(CN[3]HH)	C(N[3]C[3,5]2)(H)3	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	H(CN[3]HH)	105.8603	3.812	3	106.1142	9.590	5	106.1142	9.590	5	108.2673	5.725	14	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:1:1:1:	4:4:4:	4:	N[3]-3:H-1:H-1:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C-4:	C(N[3]C[3,5]2)(H)3	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3)	H(CN[3]HH)	C(N[3]C[3,5]2)(H)3	N[3](C[3,5]C[3,5]C[5,5]H)(C[3,5]C[3,5]C[5]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|H<1>}	H(CN[3]HH)	106.4950	2.970	2	106.1142	9.590	5	106.1142	9.590	5	108.2673	5.725	14	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:1:1:1:	4:4:4:	4:	N[3]-3:H-1:H-1:H-1:	C[3]-4:P[3]-4:C-4:	C-4:	C(N[3]C[3]P[3])(H)3	N[3](C[3]C[5]P[3]H)(P[3]C[3]CW)(CH3)	H(CN[3]HH)	C(N[3]C[3]P[3])(H)3	N[3](C[3]C[5]P[3]H)(P[3]C[3]CW)(CH3){1|Fe<10>,2|C<4>}	H(CN[3]HH)	109.4646	0.035	7	109.4646	0.001	7	109.4634	0.001	9	108.2673	5.725	14	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:1:1:1:	4:4:4:	4:	N[3]-3:H-1:H-1:H-1:	C[3]-4:P[3]-4:C-4:	C-4:	C(N[3]C[3]P[3])(H)3	N[3](C[3]C[5a]P[3]H)(P[3]C[3]CW)(CH3)	H(CN[3]HH)	C(N[3]C[3]P[3])(H)3	N[3](C[3]C[5a]P[3]H)(P[3]C[3]CW)(CH3){1|C<3>,1|O<2>}	H(CN[3]HH)	109.4595	0.008	2	109.4595	0.000	2	109.4634	0.001	9	108.2673	5.725	14	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:1:1:1:	6:4:4:	4:	N[3]-3:H-1:H-1:H-1:	C[3,3]-6:C[3,3]-4:C-4:	C-4:	C(N[3]C[3,3]2)(H)3	N[3](C[3,3]C[3,3]H[3]H3)(C[3,3]C[3,3]H[3]O)(CH3)	H(CN[3]HH)	C(N[3]C[3,3]2)(H)3	N[3](C[3,3]C[3,3]H[3]H3)(C[3,3]C[3,3]H[3]O)(CH3)	H(CN[3]HH)	109.5107	0.086	3	109.5107	0.007	3	109.5107	0.007	3	109.5107	0.007	3	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:1:1:1:	9:4:4:	4:	N[3]-3:H-1:H-1:H-1:	Nb[5x3]-9:C[3]-4:C-4:	C-4:	C(N[3]Nb[5x3]C[3])(H)3	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3]Nb[5x3]HH)(CH3)	H(CN[3]HH)	C(N[3]Nb[5x3]C[3])(H)3	N[3](Nb[5x3]C[3,3]2C[3]N[3]2O[3]2N)(C[3]Nb[5x3]HH)(CH3){4|C<3>}	H(CN[3]HH)	109.4525	0.033	2	109.4525	0.001	2	109.4525	0.001	2	109.4525	0.001	2	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:1:1:	4:3:4:	4:	N[3]-3:C[6a]-3:H-1:H-1:	C[3]-4:N[3]-3:C-4:	C-4:	C(N[3]C[3]N[3])(C[6a]C[6a]2)(H)2	N[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]HH)	H(CC[6a]N[3]H)	C(N[3]C[3]N[3])(C[6a]C[6a]2)(H)2	N[3](C[3]N[3]HH)(N[3]C[3]C)(CC[6a]HH)	H(CC[6a]N[3]H)	109.6035	0.171	4	109.6035	0.029	4	109.6035	0.029	4	109.6035	0.029	4	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]CH)2(CC[6a]HH)	H(CC[6a]N[3]H)	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]CH)2(CC[6a]HH)	H(CC[6a]N[3]H)	109.3275	0.256	4	109.3275	0.066	4	109.0438	0.817	8	109.0767	7.726	10	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH)	H(CC[6a]N[3]H)	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[3]C[5]H)(C[3]C[3]HH)(CC[6a]HH){1|H<1>,2|C<4>}	H(CC[6a]N[3]H)	108.0475	1.688	2	108.0475	2.849	2	109.0438	0.817	8	109.0767	7.726	10	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:1:1:	4:4:4:	4:	C[6a]-3:N[3]-3:H-1:H-1:	C[3]-4:C[3]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH)	H(CC[6a]N[3]H)	C(C[6a]C[6a]2)(N[3]C[3]2)(H)2	N[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CC[6a]HH){2|C<3>}	H(CC[6a]N[3]H)	109.4725	0.019	2	109.4725	0.000	2	109.0438	0.817	8	109.0767	7.726	10	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:1:1:	4:4:4:	4:	N[3]-3:C[6a]-3:H-1:H-1:	C[3]-4:C[3,5]-4:C-4:	C-4:	C(N[3]C[3,5]C[3])(C[6a]C[6a]2)(H)2	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH)	H(CC[6a]N[3]H)	C(N[3]C[3,5]C[3])(C[6a]C[6a]2)(H)2	N[3](C[3]C[3,5]C[6a]H)(C[3,5]C[3]C[5]2)(CC[6a]HH){1|O<1>,2|H<1>,4|C<3>}	H(CC[6a]N[3]H)	109.2085	7.985	2	109.2085	63.766	2	109.2085	63.766	2	109.0767	7.726	10	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:3:1:	4:4:4:	4:	C[6a]-3:C[6a]-3:N[3]-3:H-1:	C[3]-4:C[3]-4:C-4:	C-4:	C(C[6a]C[6a]2)2(N[3]C[3]2)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	H(CC[6a]2N[3])	C(C[6a]C[6a]2)2(N[3]C[3]2)(H)	N[3](C[3]C[3]CH)2(CC[6a]2H)	H(CC[6a]2N[3])	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	109.0390	0.000	1	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:4:1:	4:3:4:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-3:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)(C[3]C[3]C)(CC[6a]CH)	H(CC[6a]N[3]C)	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	108.2800	0.000	1	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:4:1:	4:4:2:	4:	N[3]-3:C[6a]-3:C-4:H-1:	C[3]-4:C-4:O[3]-2:	C-4:	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3])	H(CC[6a]N[3]C)	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]2O[3])(CC[6a]CH)(O[3]C[3]){2|C<3>,2|N<2>}	H(CC[6a]N[3]C)	110.1120	1.633	2	110.1120	2.668	2	109.8513	1.538	3	109.8513	1.538	3	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:4:1:	4:4:2:	4:	N[3]-3:C[6a]-3:C-4:H-1:	C[3]-4:C-4:O[3]-2:	C-4:	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3])	H(CC[6a]N[3]C)	C(N[3]C[3]O[3])(C[6a]C[6a]2)(CH3)(H)	N[3](C[3]C[6a]O[3]H)(CC[6a]CH)(O[3]C[3]){1|C<3>,1|N<2>}	H(CC[6a]N[3]C)	109.3300	0.000	1	109.3300	0.000	1	109.8513	1.538	3	109.8513	1.538	3	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3,5]-4:C[3,5]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH)	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3,5]2)(CH3)(H)	N[3](C[3,5]C[3,5]C[5]H)2(CC[6a]CH){1|C<4>,1|O<1>,2|H<1>}	H(CC[6a]N[3]C)	109.2920	0.000	1	109.2920	0.000	1	109.2920	0.000	1	109.1920	0.404	5	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3,6]-4:C[3,6]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH)	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3,6]2)(CH3)(H)	N[3](C[3,6]C[3,6]C[6]H)2(CC[6a]CH){1|O<1>,2|C<4>,2|H<1>}	H(CC[6a]N[3]C)	108.3810	0.000	1	108.3810	0.000	1	108.3810	0.000	1	109.1920	0.404	5	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]CH)2(CC[6a]CH)	H(CC[6a]N[3]C)	109.2240	0.000	1	109.2240	0.000	1	109.4290	0.390	3	109.1920	0.404	5	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[3]HH)(C[3]C[3]HS)(CC[6a]CH)	H(CC[6a]N[3]C)	108.9330	0.000	1	108.9330	0.000	1	109.4290	0.390	3	109.1920	0.404	5	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:3:4:1:	4:4:4:	4:	C[6a]-3:N[3]-3:C-4:H-1:	C[3]-4:C[3]-4:C-4:	C-4:	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH)	H(CC[6a]N[3]C)	C(C[6a]C[6a]2)(N[3]C[3]2)(CH3)(H)	N[3](C[3]C[6a]C[3]H)(C[3]C[3]HH)(CC[6a]CH){2|C<3>}	H(CC[6a]N[3]C)	110.1300	0.000	1	110.1300	0.000	1	109.4290	0.390	3	109.1920	0.404	5	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:4:1:1:	4:4:4:	4:	N[3]-3:C-4:H-1:H-1:	C[3,4]-4:C[3,4]-4:C-4:	C-4:	C(N[3]C[3,4]2)(CH3)(H)2	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH)	H(CN[3]CH)	C(N[3]C[3,4]2)(CH3)(H)2	N[3](C[3,4]C[3,4]C[4]H)(C[3,4]C[3,4]N[4]H)(CCHH){1|C<4>,1|H<1>}	H(CN[3]CH)	115.4815	0.045	2	115.4815	0.002	2	115.4815	0.002	2	115.4815	0.002	2	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:4:3:1:	4:3:4:	4:	N[3]-3:C-4:N-3:H-1:	C[3]-4:N[3]-3:C-4:	C-4:	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN)	H(CN[3]CN)	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN){2|C<3>}	H(CN[3]CN)	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	110.0970	0.000	1	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:4:4:1:	4:3:4:	4:	N[3]-3:C-4:C-4:H-1:	P[3]-4:C[3]-3:C-4:	C-4:	C(N[3]C[3]P[3])(CH3)2(H)	N[3](P[3]C[3]C[5]W)(C[3]P[3]N)(CCCH)	H(CN[3]CC)	C(N[3]C[3]P[3])(CH3)2(H)	N[3](P[3]C[3]C[5]W)(C[3]P[3]N)(CCCH){1|C<4>,2|C<3>}	H(CN[3]CC)	104.7940	0.000	1	104.7940	0.000	1	104.7940	0.000	1	104.7940	0.000	1	109.0881	4.832	60	109.0881	4.832	60
490	138	951	0:SP3_SP-NON_SP3	C	N[3]	H	3:4:4:1:	7:4:4:	4:	N[3]-3:C-4:C-4:H-1:	Nb[3x3]-7:P[3]-4:C-4:	C-4:	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3Cl)(P[3]Nb[3x3]C[6a]2)(CCCH)	H(CN[3]CC)	C(N[3]Nb[3x3]P[3])(CH3)2(H)	N[3](Nb[3x3]N[3]2P[3]3Cl)(P[3]Nb[3x3]C[6a]2)(CCCH){2|C<4>,8|C<3>}	H(CN[3]CC)	106.5997	0.866	3	106.5997	0.750	3	106.5997	0.750	3	106.5997	0.750	3	109.0881	4.832	60	109.0881	4.832	60
490	138	956	0:SP3_SP2_SP3	C	N[3]	N	3:4:3:1:	4:3:4:	4:3:1:	N[3]-3:C-4:N-3:H-1:	C[3]-4:N[3]-3:C-4:	C-4:C-3:H-1:	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN)	N(CN[3]CH)(COO)(H)	C(N[3]C[3]N[3])(CCHH)(NCH)(H)	N[3](C[3]C[6a]N[3]C)(N[3]C[3]H)(CCHN){2|C<3>}	N(CN[3]CH)(COO)(H)	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1	106.1330	0.000	1
490	198	951	0:SP3_SP-NON_SPD5	C	Ga[3,3,5,5,7x6]	H	5:1:1:1:	6:6:6:4:4:	4:	Ga[3,3,5,5,7x6]-5:H-1:H-1:H-1:	B[4x3,5x5,18x6]-6:B[4x3,5x5,19x6]-6:B[5x3,3x5,12x6]-6:N[6]-4:C-4:	C-4:	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3)	H(CGa[3,3,5,5,7x6]HH)	C(Ga[3,3,5,5,7x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,3x5,12x6]N[6])(H)3	Ga[3,3,5,5,7x6](B[4x3,5x5,18x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,13x6]H)(B[4x3,5x5,19x6]B[5x3,3x5,12x6]B[5x3,3x5,15x6]B[5x3,4x5,12x6]C[3x3,4x5,14x6]H)(B[5x3,3x5,12x6]B[4x3,5x5,18x6]B[4x3,5x5,19x6]B[5x3,4x5,12x6]2H)(N[6]C[6]CC)(CH3){1|C<4>,2|B<6>,7|H<1>}	H(CGa[3,3,5,5,7x6]HH)	109.5095	0.005	2	109.5095	0.000	2	109.5095	0.000	2	109.5095	0.000	2	109.5095	0.000	2	109.5095	0.000	2
490	210	490	0:SP3_SP1_SP3	C	Ge	C	4:2:1:1:	3:4:	3:4:1:1:	C-4:Ge-2:H-1:H-1:	N-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(CC[6a]HH)(GeN)(H)2	Ge(NC[6a]Si)(CCHH)	C(C[6a]C[6a]2)(CGeHH)(H)2	C(CC[6a]HH)(GeN)(H)2	Ge(NC[6a]Si)(CCHH)	C(C[6a]C[6a]2)(CGeHH)(H)2	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	107.4500	0.000	1	106.6973	0.428	3	106.6973	0.428	3
490	210	490	0:SP3_SP1_SP3	C	Ge	C	4:2:1:1:	3:4:	4:4:1:1:	C-4:Ge-2:H-1:H-1:	N-3:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(GeN)(H)2	Ge(NC[6a]Si)(CCHH)	C(CGeHH)(CCCH)(H)2	C(CCHH)(GeN)(H)2	Ge(NC[6a]Si)(CCHH)	C(CGeHH)(CCCH)(H)2	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	106.2630	0.000	1	106.6973	0.428	3	106.6973	0.428	3
490	210	490	0:SP3_SP1_SP3	C	Ge	C	4:3:2:1:	3:4:	4:4:1:1:	C-4:C-3:Ge-2:H-1:	N-3:C-4:	C-4:C-4:H-1:H-1:	C(CCHH)(CCH)(GeN)(H)	Ge(NC[6a]Si)(CCCH)	C(CGeCH)(CCHH)(H)2	C(CCHH)(CCH)(GeN)(H)	Ge(NC[6a]Si)(CCCH)	C(CGeCH)(CCHH)(H)2	106.3790	0.000	1	106.3790	0.000	1	106.3790	0.000	1	106.3790	0.000	1	106.6973	0.428	3	106.6973	0.428	3
490	210	930	0:SP3_SP1_SP2	C	Ge	C	4:3:2:1:	3:4:	4:3:1:	C-4:C-3:Ge-2:H-1:	N-3:C-4:	C-4:C-3:H-1:	C(CCHH)(CCH)(GeN)(H)	Ge(NC[6a]Si)(CCCH)	C(CGeCH)(CCH)(H)	C(CCHH)(CCH)(GeN)(H)	Ge(NC[6a]Si)(CCCH)	C(CGeCH)(CCH)(H)	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1	106.8860	0.000	1
490	210	951	0:SP3_SP-NON_SP1	C	Ge	H	4:2:1:1:	3:4:	4:	C-4:Ge-2:H-1:H-1:	N-3:C-4:	C-4:	C(CCHH)(GeN)(H)2	Ge(NC[6a]Si)(CCHH)	H(CGeCH)	C(CCHH)(GeN)(H)2	Ge(NC[6a]Si)(CCHH)	H(CGeCH)	110.4840	0.000	1	110.4840	0.000	1	110.2963	0.028	3	110.2963	0.028	3	110.4183	0.078	4	110.4183	0.078	4
490	210	951	0:SP3_SP-NON_SP1	C	Ge	H	4:2:1:1:	3:4:	4:	C-4:Ge-2:H-1:H-1:	N-3:C-4:	C-4:	C(CC[6a]HH)(GeN)(H)2	Ge(NC[6a]Si)(CCHH)	H(CGeCH)	C(CC[6a]HH)(GeN)(H)2	Ge(NC[6a]Si)(CCHH)	H(CGeCH)	110.2025	0.050	2	110.2025	0.003	2	110.2963	0.028	3	110.2963	0.028	3	110.4183	0.078	4	110.4183	0.078	4
490	210	951	0:SP3_SP-NON_SP1	C	Ge	H	4:3:2:1:	3:4:	4:	C-4:C-3:Ge-2:H-1:	N-3:C-4:	C-4:	C(CCHH)(CCH)(GeN)(H)	Ge(NC[6a]Si)(CCCH)	H(CGeCC)	C(CCHH)(CCH)(GeN)(H)	Ge(NC[6a]Si)(CCCH)	H(CGeCC)	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	110.7840	0.000	1	110.4183	0.078	4	110.4183	0.078	4
490	217	217	0:SP3_SP2_SP2	C	N[6a]	N[6a]	3:3:3:1:	3:3:4:	3:3:4:	N[6a]-3:N[6a]-3:N[6a]-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:C-4:	C(N[6a]C[6a]2)3(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H)	C(N[6a]C[6a]2)3(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CN[6a]2H){1|C<3>,2|H<1>}	111.8840	0.465	4	111.8840	0.217	4	111.8840	0.217	4	111.8840	0.217	4	111.8840	0.217	4	111.8840	0.217	4
490	217	466	0:SP3_SP2_SP3	C	N[6a]	C[6]	3:4:1:1:	3:3:4:	2:4:4:1:	N[6a]-3:C[6]-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	S[6]-2:C[6]-4:C-4:H-1:	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH)	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[6a]HH)(H)	C(N[6a]C[5a,6a]C[6a])(C[6]C[6]S[6]H)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(CC[6]HH){1|N<2>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]O[6]HH)(CN[6a]HH)(H){2|C<3>}	112.6050	0.000	1	112.6050	0.000	1	112.6050	0.000	1	112.6050	0.000	1	112.3595	0.121	2	112.3595	0.121	2
490	217	466	0:SP3_SP2_SP3	C	N[6a]	C[6]	4:3:1:1:	3:3:4:	4:4:2:1:	C[6]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:C-4:O[6]-2:H-1:	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH)	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H)	C(C[6]C[6]O[6]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[6]HH){1|C<3>,1|H<1>}	C[6](C[6]O[6]HH)(CN[6a]HH)(O[6]C[6])(H){1|P<4>,2|H<1>}	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	112.1140	0.000	1	112.3595	0.121	2	112.3595	0.121	2
490	217	474	0:SP3_SP2_SP3	C	N[6a]	C[5]	3:4:1:1:	3:3:4:	4:3:4:1:	N[6a]-3:C[5]-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C[5]-3:C-4:H-1:	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H)	C(N[6a]C[6a]2)(C[5]C[5]2H)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HH)(C[5]O[5]O)(CN[6a]HH)(H){2|H<1>}	111.3770	0.000	1	111.3770	0.000	1	111.3770	0.000	1	111.3770	0.000	1	112.5030	0.987	4	112.5030	0.987	4
490	217	474	0:SP3_SP2_SP3	C	N[6a]	C[5]	4:3:1:1:	3:3:4:	4:2:4:1:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:O[5]-2:C-4:H-1:	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH)	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H)	C(C[5]C[5]O[5]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CC[5]HH){2|C<3>}	C[5](C[5]C[5,6]HH)(O[5]C[5,6])(CN[6a]HH)(H){1|C<3>,1|O<2>,2|H<1>}	112.4120	0.000	1	112.4120	0.000	1	112.4120	0.000	1	112.4120	0.000	1	112.5030	0.987	4	112.5030	0.987	4
490	217	474	0:SP3_SP2_SP3	C	N[6a]	C[5]	4:3:1:1:	3:3:4:	4:4:2:2:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:O[5]-2:O-2:	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC)	C(C[5]C[5]O[5]O)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(CN[6a]HH)(O[5]C[5])(OC){1|C<4>,1|O<2>,2|H<1>}	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	112.4240	0.000	1	112.5030	0.987	4	112.5030	0.987	4
490	217	474	0:SP3_SP2_SP3	C	N[6a]	C[5]	4:3:1:1:	3:3:4:	4:4:4:1:	C[5]-4:N[6a]-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:N[5]-4:C-4:H-1:	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH)	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H)	C(C[5]C[5]N[5]H)(N[6a]C[6a]2)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CC[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[5](C[5]C[5]HO)(N[5]C[5]HH)(CN[6a]HH)(H){1|C<4>,1|O<2>,2|H<1>}	113.7990	0.000	1	113.7990	0.000	1	113.7990	0.000	1	113.7990	0.000	1	112.5030	0.987	4	112.5030	0.987	4
490	217	486	0:SP3_SP2_SP3	C	N[6a]	C[3]	3:4:1:1:	3:3:4:	4:4:2:1:	N[6a]-3:C[3]-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[3]-4:C-4:O[3]-2:H-1:	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH)	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	C(N[6a]C[6a,6a]C[6a])(C[3]C[3]O[3]H)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CC[3]HH){1|H<1>,1|N<2>,3|C<3>}	C[3](C[3]O[3]HH)(CN[6a]HH)(O[3]C[3])(H)	112.8590	0.496	2	112.8590	0.246	2	112.8590	0.246	2	112.8590	0.246	2	112.8590	0.246	2	112.8590	0.246	2
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:3:4:1:	3:3:4:	4:1:1:1:	C[5a]-3:N[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	N[6a](C[6a]N[6a]O)2(CC[5a]CH)	C(CC[5a]N[6a]H)(H)3	C(C[5a]C[5a]S[5a])(N[6a]C[6a]2)(CH3)(H)	N[6a](C[6a]N[6a]O)2(CC[5a]CH){1|C<3>,2|H<1>}	C(CC[5a]N[6a]H)(H)3	112.9310	0.000	1	112.9310	0.000	1	112.9310	0.000	1	111.6660	3.200	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:3:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C[6a]-3:C-4:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH)	C(CC[6a]N[6a]H)(H)3	C(N[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CH3)(H)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CC[6a]CH){2|H<1>,5|C<3>}	C(CC[6a]N[6a]H)(H)3	110.4010	0.000	1	110.4010	0.000	1	110.4010	0.000	1	111.6660	3.200	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:3:4:1:	3:3:4:	4:3:2:1:	C[6a]-3:N[6a]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:O-2:H-1:	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH)	C(CC[6a]N[6a]H)(COO)(OH)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCHO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CC[6a]CH){1|C<3>,2|H<1>}	C(CC[6a]N[6a]H)(COO)(OH)(H)	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	107.8430	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:2:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	N[5a]-3:C-4:H-1:H-1:	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C(N[6a]C[6a]N[6a])(CN[5a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	111.0053	1.183	4	111.0053	1.399	4	111.0053	1.399	4	111.0053	1.399	4	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:2:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:Cl-1:H-1:H-1:	C(N[6a]C[6a]N[6a])(CClHH)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH)	C(CN[6a]HH)(Cl)(H)2	C(N[6a]C[6a]N[6a])(CClHH)(H)2	N[6a](C[6a]N[5a,6a]O)(N[6a]N[6a])(CCHH){2|C<3>}	C(CN[6a]HH)(Cl)(H)2	112.3127	0.491	3	112.3127	0.241	3	112.3127	0.241	3	112.3127	0.241	3	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:2:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]N[6a])(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(OH)(H)2	114.3580	0.000	1	114.3580	0.000	1	113.0375	3.487	2	113.0375	3.487	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:2:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]N[6a])(CHHO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CHHO)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(OH)(H)2	111.7170	0.000	1	111.7170	0.000	1	113.0375	3.487	2	113.0375	3.487	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:2:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-3:H-1:H-1:	C(N[6a]C[6a]N[6a])(CCHH)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(CN[6a]HH)(CN[6]O)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(CN[6]O)(H)2	110.4495	0.037	2	110.4495	0.001	2	110.4495	0.001	2	110.4495	0.001	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:2:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]N[6a])(CCHH)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(H)2	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	C(CN[6a]HH)(CCHH)(H)2	112.1850	1.291	2	112.1850	1.667	2	112.1850	1.667	2	112.1850	1.667	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:3:4:1:	N[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C[5a]-3:C[5a]-3:C-4:H-1:	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C(C[5a]N[5a,6a]C[5a])2(CN[6a]HH)(H)	C(N[6a]B[6a]C[6a])(CC[5a]2H)(H)2	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(C[5a]N[5a,6a]C[5a])2(CN[6a]HH)(H)	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]2)(CN[6]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(N[6]C[6]2)(CN[6a]HH)(H)2	110.5005	0.972	2	110.5005	0.945	2	110.5005	0.945	2	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CC[6a]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	112.7990	0.000	1	112.7990	0.000	1	112.7990	0.000	1	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[5]C[5]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(N[5]C[5]2)(CN[6a]HH)(H)2	110.2740	0.000	1	111.2965	2.091	2	111.2965	2.091	2	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[5]-3:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(N[5]C[5]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[5]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(N[5]C[5]2)(CN[6a]HH)(H)2	112.3190	0.000	1	111.2965	2.091	2	111.2965	2.091	2	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CN[6]HH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(N[6]C[6]2)(CN[6a]HH)(H)2	109.9370	0.000	1	109.9370	0.000	1	109.9370	0.000	1	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[5,6a]N)(C[6a]N[6a]H)(CCHH){1|C<3>,1|S<2>}	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	113.3090	0.000	1	113.3090	0.000	1	112.7144	0.565	5	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	112.3760	0.000	1	112.3760	0.000	1	112.7144	0.565	5	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	112.3240	1.100	2	112.3240	1.211	2	112.7144	0.565	5	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[6a]HH)(H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CN[6a]HH)(H)2	113.2390	0.000	1	113.2390	0.000	1	112.7144	0.565	5	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CN[5a]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(N[5a]C[5a,6a]N[5a])(CN[6a]HH)(H)2	112.2550	0.000	1	112.2550	0.000	1	112.2550	0.000	1	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CN[6]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C(N[6]C[6]2)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CN[6]HH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C(N[6]C[6]2)(CN[6a]HH)(H)2	111.7930	0.000	1	111.7930	0.000	1	111.7930	0.000	1	111.8423	1.501	13	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:3:2:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-3:O-2:	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(CHO)(OH)	C(N[6a]C[6a]2)(CC[6a]CO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	C(C[6a]C[6a]2)(CN[6a]HH)(CHO)(OH)	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	113.5260	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	3:4:4:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:C-4:H-1:	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	C(N[6a]C[6a]2)(CC[6a]CH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(C[6a]C[6a]2)(CN[6a]HH)(CH3)(H)	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	113.0240	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]2)(C[6a]C[6a]H)(CCHH){1|Br<1>,1|H<1>,3|C<3>}	C(CN[6a]HH)(H)3	111.7680	0.178	2	111.7680	0.032	2	111.9196	0.180	7	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(H)3	111.4120	0.000	1	111.4120	0.000	1	111.9196	0.180	7	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]O)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(H)3	112.1480	0.536	3	112.1480	0.288	3	111.9196	0.180	7	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	B[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]B[6a]C[6a])(CH3)(H)2	N[6a](B[6a]C[6a]P)(C[6a]C[6a]H)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(H)3	112.0450	0.000	1	112.0450	0.000	1	111.9196	0.180	7	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[5,6a]2)(CH3)(H)2	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[5,6a]2)(CH3)(H)2	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C(CN[6a]HH)(H)3	113.3552	1.442	5	113.3552	2.079	5	113.3552	2.079	5	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[5,6a]C[6a])(CH3)(H)2	N[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]N)(CCHH){1|C<3>,1|S<1>,2|S<2>}	C(CN[6a]HH)(H)3	111.4315	0.194	2	111.4315	0.038	2	111.4315	0.038	2	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a,6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[5a,6a]C[6a,6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|N<2>,1|S<2>,4|C<3>}	C(CN[6a]HH)(H)3	110.4680	0.000	1	110.4680	0.000	1	110.4680	0.000	1	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CCHH){1|C<2>,1|N<3>,2|C<3>}	C(CN[6a]HH)(H)3	112.2490	0.000	1	112.2490	0.000	1	112.6620	0.281	3	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C(CN[6a]HH)(H)3	113.2600	0.000	1	113.2600	0.000	1	112.6620	0.281	3	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[5a,6a]C[6a])(CH3)(H)2	N[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,3|C<3>}	C(CN[6a]HH)(H)3	112.4770	0.000	1	112.4770	0.000	1	112.6620	0.281	3	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:Cl-1:H-1:H-1:	C(N[6a]C[6a,6a]2)(CClHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(Cl)(H)2	C(N[6a]C[6a,6a]2)(CClHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(Cl)(H)2	110.6710	0.000	1	110.6710	0.000	1	110.6710	0.000	1	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]2)(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]2)(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){1|S<3>,2|H<1>,4|C<3>}	C(CN[6a]HH)(H)3	115.5577	1.211	3	115.5577	1.467	3	115.5577	1.467	3	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:F-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(F)(H)2	C(N[6a]C[6a,6a]C[6a])(CFHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	C(CN[6a]HH)(F)(H)2	111.5900	0.000	1	111.5900	0.000	1	111.5900	0.000	1	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|F<1>,4|C<3>}	C(CN[6a]HH)(H)3	111.2735	0.483	2	112.0013	1.657	40	112.0152	1.099	71	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(CN[6a]HH)(H)3	111.9870	0.000	1	112.0013	1.657	40	112.0152	1.099	71	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(CN[6a]HH)(H)3	112.1758	1.056	36	112.0013	1.657	40	112.0152	1.099	71	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C(CN[6a]HH)(H)3	107.1890	0.000	1	112.0013	1.657	40	112.0152	1.099	71	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C(CN[6a]HH)(H)3	111.6040	0.112	2	112.1379	0.381	11	112.0152	1.099	71	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(CN[6a]HH)(H)3	112.0387	0.645	3	112.1379	0.381	11	112.0152	1.099	71	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(CN[6a]HH)(H)3	111.8605	0.466	2	112.1379	0.381	11	112.0152	1.099	71	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(CN[6a]HH)(H)3	112.6973	0.705	3	112.1379	0.381	11	112.0152	1.099	71	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C(CN[6a]HH)(H)3	112.3800	0.000	1	112.1379	0.381	11	112.0152	1.099	71	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a,6a]C[6a])(CH3)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(CCHH){4|C<3>}	C(CN[6a]HH)(H)3	111.9755	0.663	20	111.9755	0.439	20	112.0152	1.099	71	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Cl-1:H-1:H-1:	C(N[6a]C[6a]2)(CClHH)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(CN[6a]HH)(Cl)(H)2	C(N[6a]C[6a]2)(CClHH)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C(CN[6a]HH)(Cl)(H)2	110.6010	0.000	1	110.6010	0.000	1	111.7805	2.782	2	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:Cl-1:H-1:H-1:	C(N[6a]C[6a]2)(CClHH)(H)2	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(Cl)(H)2	C(N[6a]C[6a]2)(CClHH)(H)2	N[6a](C[6a]N[5,6a]O)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C(CN[6a]HH)(Cl)(H)2	112.9600	0.000	1	112.9600	0.000	1	111.7805	2.782	2	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:F-1:F-1:F-1:	C(N[6a]C[6a]2)(CF3)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(CN[6a]HH)(F)3	C(N[6a]C[6a]2)(CF3)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C(CN[6a]HH)(F)3	111.1620	0.000	1	111.1620	0.000	1	111.1620	0.000	1	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<4>,2|C<3>}	C(CN[6a]HH)(H)3	112.1620	0.000	1	112.1620	0.000	1	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C(CN[6a]HH)(H)3	113.0600	0.397	2	113.0600	0.158	2	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6,6a]O)(C[6a]N[6,6a]S)(CCHH){1|C<4>,2|C<3>}	C(CN[6a]HH)(H)3	111.8750	0.000	1	111.8750	0.000	1	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a,6a]H)2(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a,6a]H)2(CCHH){3|C<3>}	C(CN[6a]HH)(H)3	112.4270	0.000	1	112.4270	0.000	1	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(H)3	110.9700	0.000	1	110.9700	0.000	1	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,3|C<3>}	C(CN[6a]HH)(H)3	111.7110	0.000	1	111.7110	0.000	1	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]N)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(H)3	113.0850	0.000	1	113.0850	0.000	1	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(H)3	111.6830	0.469	8	112.0234	0.346	42	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]S)(CCHH){1|C<4>,2|C<3>}	C(CN[6a]HH)(H)3	112.1034	0.591	34	112.0234	0.346	42	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)2(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]C[6a]O)2(CCHH){1|C<2>,1|C<3>,1|N<2>}	C(CN[6a]HH)(H)3	115.1380	0.000	1	115.1380	0.000	1	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]N[6a]O)2(CCHH)	C(CN[6a]HH)(H)3	C(N[6a]C[6a]2)(CH3)(H)2	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C(CN[6a]HH)(H)3	111.7000	0.171	6	111.7000	0.029	6	112.0819	0.524	57	112.1230	1.139	154	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a,6a]2)(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(CN[6a]HH)(OC)(H)2	113.5860	0.000	1	113.5860	0.000	1	112.6052	1.723	4	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a,6a]2)(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(OC[6a])(H)2	111.4735	0.026	2	111.4735	0.001	2	112.6052	1.723	4	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a,6a]2)(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a,6a]2)(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(OH)(H)2	113.8880	0.000	1	113.8880	0.000	1	112.6052	1.723	4	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a,6a]C[6a])(CHHO)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(CN[6a]HH)(OC)(H)2	110.0720	0.000	1	110.0720	0.000	1	110.0720	0.000	1	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CN)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(CN)(H)2	112.9560	0.000	1	112.9560	0.000	1	112.6623	0.376	4	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-2:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]N[6a]O)2(CCHH)	C(CN[6a]HH)(CN)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C(CN[6a]HH)(CN)(H)2	112.5643	0.711	3	112.5643	0.506	3	112.6623	0.376	4	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(NC)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(NC)(H)2	112.7005	1.626	2	112.7005	2.643	2	112.7005	2.643	2	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[5,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(CN[6a]HH)(OH)(H)2	112.7030	0.000	2	112.7030	0.000	2	112.4559	2.027	20	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6,6a]C)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(OC)(H)2	111.3960	0.000	1	111.3960	0.000	1	112.4559	2.027	20	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	C(CN[6a]HH)(OC)(H)2	114.1300	0.000	1	114.1300	0.000	1	112.4559	2.027	20	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	C(CN[6a]HH)(OH)(H)2	114.7690	0.262	3	114.7690	0.069	3	112.4559	2.027	20	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(OC)(H)2	111.6867	1.779	3	111.6867	3.164	3	112.4559	2.027	20	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(CN[6a]HH)(OC[6a])(H)2	112.2420	0.000	1	112.2420	0.000	1	112.4559	2.027	20	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(OC[6a])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(OC[6a])(H)2	112.1790	0.000	1	112.1790	0.000	1	112.4559	2.027	20	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH)	C(CN[6a]HH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a,6a]O)(CCHH){4|C<3>}	C(CN[6a]HH)(OH)(H)2	112.5040	0.000	1	112.5040	0.000	1	112.4559	2.027	20	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]N[6a]O)2(CCHH)	C(CN[6a]HH)(OC)(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C(CN[6a]HH)(OC)(H)2	112.1568	0.295	4	112.1568	0.087	4	112.4559	2.027	20	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]N[6a]O)2(CCHH)	C(CN[6a]HH)(OC[6])(H)2	C(N[6a]C[6a]2)(CHHO)(H)2	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C(CN[6a]HH)(OC[6])(H)2	111.0890	1.385	3	111.0890	1.917	3	112.4559	2.027	20	112.4407	1.784	31	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(COO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(COO)(H)2	111.7020	0.000	1	111.7020	0.000	1	112.3464	0.640	31	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CC[5]O)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]HH)(CC[5]O)(H)2	112.3320	0.000	1	112.3320	0.000	1	112.3464	0.640	31	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CNO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(CNO)(H)2	111.9560	0.017	2	112.2340	0.236	6	112.3464	0.640	31	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CNO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(CN[6a]HH)(CNO)(H)2	112.3730	0.562	4	112.2340	0.236	6	112.3464	0.640	31	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(COO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(COO)(H)2	112.3365	0.088	2	112.5394	0.648	17	112.3464	0.640	31	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(COO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C(CN[6a]HH)(COO)(H)2	112.6030	0.855	13	112.5394	0.648	17	112.3464	0.640	31	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(COO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(COO)(H)2	112.3285	1.172	2	112.5394	0.648	17	112.3464	0.640	31	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-3:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]N[6a]O)2(CCHH)	C(CN[6a]HH)(COO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C(CN[6a]HH)(COO)(H)2	112.0220	1.085	6	112.0220	1.177	6	112.3464	0.640	31	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:H-1:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH)	C(CN[6a]HH)(NHS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C(CN[6a]HH)(NHS)(H)2	111.1020	0.000	1	111.1020	0.000	1	112.0252	1.144	13	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:H-1:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH)	C(CN[6a]HH)(NHH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCHH){2|C<3>}	C(CN[6a]HH)(NHH)(H)2	113.8970	0.000	1	113.8970	0.000	1	112.0252	1.144	13	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:H-1:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(NCS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(NCS)(H)2	111.8660	0.540	2	111.8660	0.292	2	112.0252	1.144	13	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:H-1:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(NCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C(CN[6a]HH)(NCH)(H)2	110.1310	0.000	1	110.1310	0.000	1	112.0252	1.144	13	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:H-1:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(NCS)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(CN[6a]HH)(NCS)(H)2	112.7290	0.733	2	112.7290	0.537	2	112.0252	1.144	13	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-3:H-1:H-1:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]N[6a]O)2(CCHH)	C(CN[6a]HH)(NCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]N[6a]O)2(CCHH){1|C<3>,2|C<4>}	C(CN[6a]HH)(NCH)(H)2	112.0012	0.884	6	112.0012	0.781	6	112.0252	1.144	13	112.2515	0.788	44	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:3:3:1:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a,6a]-3:C-4:	C-4:C-3:C-3:H-1:	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(CN[6a]HH)(CCC)(COO)(H)	C(N[6a]C[6a,6a]C[6,6a])(CCCH)(H)2	N[6a](C[6,6a]C[5a,6,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(CN[6a]HH)(CCC)(COO)(H)	116.0690	0.000	1	116.0690	0.000	1	116.0690	0.000	1	116.0690	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[5,6a]2)(CCHH)(H)2	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C(CN[6a]HH)(CCHH)(H)2	112.8895	0.456	2	112.8895	0.208	2	112.3437	0.998	3	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5,6a]-3:C[5,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[5,6a]2)(CCHH)(H)2	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5,6a]2)(CCHH)(H)2	N[6a](C[5,6a]C[5,6a]N[5])2(CCHH){1|C<3>,4|S<2>}	C(CN[6a]HH)(CH3)(H)2	111.2520	0.000	1	111.2520	0.000	1	112.3437	0.998	3	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CCHH){2|H<1>,3|C<3>}	C(CN[6a]HH)(CH3)(H)2	112.5850	0.000	1	112.5850	0.000	1	112.2512	1.273	4	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|C<4>,1|N<3>,2|C<3>}	C(CN[6a]HH)(CH3)(H)2	111.3865	0.513	2	111.3865	0.263	2	112.2512	1.273	4	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[5a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[5a,6a]C[6a])(CCHH)(H)2	N[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]O)(CCHH){1|H<1>,1|N<3>,2|C<3>}	C(CN[6a]HH)(CHHO)(H)2	113.6470	0.000	1	113.6470	0.000	1	112.2512	1.273	4	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]N[6a]O)(CCHH){2|H<1>,3|C<3>}	C(CN[6a]HH)(CCHH)(H)2	111.2210	0.000	2	111.2210	0.000	2	111.9990	0.807	5	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){1|H<1>,3|C<3>}	C(CN[6a]HH)(CCHH)(H)2	112.2730	0.000	1	112.2730	0.000	1	111.9990	0.807	5	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]N[6])(C[6a]N[6a]O)(CCHH){2|C<3>,2|C<4>}	C(CN[6a]HH)(CH3)(H)2	113.3880	0.000	1	113.3880	0.000	1	111.9990	0.807	5	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6,6a]C[6a])(CCHH)(H)2	N[6a](C[6,6a]C[6,6a]O[6])(C[6a]N[6a]O)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C(CN[6a]HH)(CCHH)(H)2	111.8920	0.000	1	111.8920	0.000	1	111.9990	0.807	5	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:B[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]B[6a,6a]C[6a,6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a,6a]C[3x6a]N[6a])(CCHH){1|C<4>,1|H<1>,5|C<3>}	C(CN[6a]HH)(CCHH)(H)2	114.2375	2.473	6	114.2375	6.118	6	114.2375	6.118	6	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:B[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]B[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(B[6a]C[5a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C(CN[6a]HH)(CCHH)(H)2	115.2990	0.000	1	115.2990	0.000	1	115.2990	0.000	1	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,1|N<3>,5|C<3>}	C(CN[6a]HH)(CH3)(H)2	114.2765	2.558	2	112.7411	2.367	11	113.0034	1.448	29	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){1|H<1>,6|C<3>}	C(CN[6a]HH)(CH3)(H)2	111.8085	0.204	2	112.7411	2.367	11	113.0034	1.448	29	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(CH3)(H)2	112.5689	1.318	7	112.7411	2.367	11	113.0034	1.448	29	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH)	C(CN[6a]HH)(CHHN)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a,6a]C[6a,6a]C[6a])(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(CHHN)(H)2	114.2545	0.268	2	114.2545	0.072	2	113.0034	1.448	29	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6,6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(CH3)(H)2	113.6840	0.000	1	113.6840	0.000	1	113.0034	1.448	29	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a,6a]C[6a,6a]N[6a])(CCHH){1|H<1>,1|N<2>,4|C<3>}	C(CN[6a]HH)(CCHH)(H)2	112.0290	0.000	1	112.0290	0.000	1	113.0034	1.448	29	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(CCHH)(H)2	113.1111	0.950	13	113.1111	0.903	13	113.0034	1.448	29	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a,6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]2)(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])2(CCHH){2|H<1>,5|C<3>}	C(CN[6a]HH)(CH3)(H)2	112.2800	0.000	1	112.2800	0.000	1	113.0034	1.448	29	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)2(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]2)(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,3|C<3>}	C(CN[6a]HH)2(H)2	112.3135	0.247	2	112.3135	0.061	2	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH)	C(CC[6a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[5a,6a]O)(CCHH){1|H<1>,1|S<2>,3|C<3>}	C(CC[6a]HH)(CN[6a]HH)(H)2	113.3520	0.134	2	113.3520	0.018	2	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]O)(CCHH){1|H<1>,4|C<3>}	C(CN[6a]HH)(CCHH)(H)2	115.1090	0.089	2	115.1090	0.008	2	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH)	C(CC[6a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCHH){2|H<1>,5|C<3>}	C(CC[6a]HH)(CN[6a]HH)(H)2	113.6760	0.000	1	113.6760	0.000	1	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(CCHH){1|H<1>,4|C<3>}	C(CN[6a]HH)(CH3)(H)2	111.7040	0.000	1	111.7040	0.000	1	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C(CN[6a]HH)(CCHH)(H)2	111.1160	0.000	1	113.0612	1.391	6	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(CN[6a]HH)(CCHH)(H)2	112.7320	0.000	1	113.0612	1.391	6	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C(CN[6a]HH)(CCHH)(H)2	113.6050	0.938	3	113.0612	1.391	6	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){2|H<1>,3|C<3>}	C(CN[6a]HH)(CCHH)(H)2	113.7040	0.000	1	113.0612	1.391	6	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,4|C<3>}	C(CN[6a]HH)(CH3)(H)2	113.0320	0.269	2	113.0320	0.072	2	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|H<1>,1|N<2>,3|C<3>}	C(CN[6a]HH)(CHHO)(H)2	111.3200	0.000	1	111.3200	0.000	1	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a,6a]C[6a])(CCHH)(H)2	N[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]O)(CCHH){1|N<3>,1|O<1>,2|C<3>}	C(CN[6a]HH)(CCHH)(H)2	111.5850	0.000	1	111.5850	0.000	1	113.0147	1.422	18	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a,6a]-3:C[6a]-3:C-4:	C-4:N-4:H-1:H-1:	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH)	C(CN[6a]HH)(NC3)(H)2	C(N[6a]C[6a,6a]C[6a])(CHHN)(H)2	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]O[6a]O)(CCHH){1|H<1>,3|C<3>}	C(CN[6a]HH)(NC3)(H)2	108.9390	0.000	1	108.9390	0.000	1	108.9390	0.000	1	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:F-1:F-1:	C(N[6a]C[6a]2)(CCFF)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(CCFF)(F)2	C(N[6a]C[6a]2)(CCFF)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(CCFF)(F)2	110.5426	1.344	5	110.5426	1.807	5	110.5426	1.807	5	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]C)(C[6a]C[6a]O)(CCHH){1|C<4>,2|C<3>}	C(CN[6a]HH)(CCHH)(H)2	112.7030	1.550	2	112.7030	2.402	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]C[6a])(C[6a]C[6a]O)(CCHH){1|C<4>,1|H<1>,3|C<3>}	C(CN[6a]HH)(CCHH)(H)2	113.5880	1.489	2	113.5880	2.218	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(CH3)(H)2	113.0340	0.000	1	113.0340	0.000	1	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCHH){2|C<3>,2|C<4>}	C(CN[6a]HH)(CCHH)(H)2	113.5270	0.000	1	113.5270	0.000	1	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(CN[6a]HH)(CCHH)(H)2	112.0141	1.119	7	112.0943	0.966	9	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C(CN[6a]HH)(CCHH)(H)2	112.4380	0.000	1	112.0943	0.966	9	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|O<2>}	C(CN[6a]HH)(CCHH)(H)2	112.3120	0.000	1	112.0943	0.966	9	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C(CN[6a]HH)(CH3)(H)2	112.0775	0.964	2	112.0775	0.929	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH)	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]S)(CCHH){2|C<3>}	C(CN[6a]HH)(CHHO)(H)2	113.9090	0.000	1	113.9090	0.000	1	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C(CN[6a]HH)(CH3)(H)2	112.8650	0.000	1	112.8650	0.000	1	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCHH){3|C<3>}	C(CN[6a]HH)(CCHH)(H)2	112.5085	1.561	4	112.5085	2.436	4	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]C)(CCHH){2|C<3>}	C(CN[6a]HH)(CCHH)(H)2	111.6590	0.000	1	111.6590	0.000	1	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(CN[6a]HH)(CCHH)(H)2	112.1380	0.000	2	112.1380	0.000	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,1|N<2>}	C(CN[6a]HH)(CCHH)(H)2	112.9810	0.887	2	112.9810	0.786	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CC[6a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CC[6a]HH)(CN[6a]HH)(H)2	113.7840	0.000	1	113.7840	0.000	1	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[5a]HH)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[5a]HH)(CN[6a]HH)(H)2	112.2910	1.432	6	112.2910	2.051	6	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(CCHH)(H)2	112.5144	0.972	18	112.5144	0.945	18	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(CH3)(H)2	111.9800	0.445	2	111.9800	0.198	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(CN[5]HH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(CN[5]HH)(H)2	112.2215	1.522	13	112.2215	2.316	13	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C(CN[6a]HH)(CH3)(H)2	112.2060	0.000	1	112.2060	0.000	1	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(CCHH){1|C<2>,1|C<3>,1|H<1>}	C(CN[6a]HH)(CHHO)(H)2	112.1485	0.426	2	112.1485	0.182	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(CCHH)(H)2	113.3460	0.000	1	113.3460	0.000	1	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(CCHH)(H)2	112.8936	1.024	5	112.7631	0.439	17	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|H<1>}	C(CN[6a]HH)(CCHH)(H)2	112.4057	0.732	3	112.7631	0.439	17	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,2|H<1>}	C(CN[6a]HH)(CCHH)(H)2	112.5330	0.231	3	112.7631	0.439	17	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(CCHH)(H)2	112.8476	0.358	5	112.7631	0.439	17	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){2|C<3>}	C(CN[6a]HH)(CCHH)(H)2	113.4510	0.000	1	112.7631	0.439	17	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CHHO)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|F<1>,1|H<1>}	C(CN[6a]HH)(CHHO)(H)2	111.8275	0.419	2	111.8275	0.176	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)2(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]H)2(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(CCHH)(H)2	109.6900	0.000	1	109.6900	0.000	1	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]C)(CCHH){1|C<2>,1|C<3>}	C(CN[6a]HH)(CCHH)(H)2	112.8930	0.000	1	112.8930	0.000	1	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C(CN[6a]HH)(CCHH)(H)2	111.3240	0.000	1	111.7890	0.432	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|H<1>,2|C<3>}	C(CN[6a]HH)(CCHH)(H)2	112.2540	0.000	1	111.7890	0.432	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)2(H)2	C(N[6a]C[6a]2)(CCHH)(H)2	N[6a](C[6a]C[6a]O)(C[6a]N[6a]O)(CCHH){1|C<3>,2|C<4>}	C(CN[6a]HH)2(H)2	111.6965	0.978	2	111.6965	0.956	2	112.4383	1.148	97	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:N-4:H-1:H-1:	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(NCCH)(H)2	C(N[6a]C[6a]2)(CHHN)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(NCCH)(H)2	114.0070	0.000	1	114.0070	0.000	1	114.0070	0.000	1	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:S-4:H-1:H-1:	C(N[6a]C[6a]2)(CHHS)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(SO3)(H)2	C(N[6a]C[6a]2)(CHHS)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(SO3)(H)2	111.5962	1.573	6	111.5962	2.476	6	111.5962	2.476	6	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CC[5]HH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(C[5]C[5]2Fe)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[5]HH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2Fe)(CN[6a]HH)(H)2	111.3950	1.831	2	111.3950	3.354	2	110.9770	1.490	5	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CC[5]HH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(C[5]C[5]2Ru)(CN[6a]HH)(H)2	C(N[6a]C[6a]2)(CC[5]HH)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(C[5]C[5]2Ru)(CN[6a]HH)(H)2	110.6983	1.006	3	110.6983	1.012	3	110.9770	1.490	5	112.5124	1.837	181	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:2:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:H-1:	C(N[6a]C[6a]2)(CCHO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH)	C(CN[6a]HH)(CC[6]HH)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]H)(CCHH){2|C<3>}	C(CN[6a]HH)(CC[6]HH)(OH)(H)	113.9940	0.000	1	113.9940	0.000	1	112.1230	2.646	3	112.1230	2.646	3	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:2:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:H-1:	C(N[6a]C[6a]2)(CCHO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH)	C(CN[6a]HH)(CCHO)(OH)(H)	C(N[6a]C[6a]2)(CCHO)(H)2	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]HH)(CCHO)(OH)(H)	111.1875	0.203	2	111.1875	0.041	2	112.1230	2.646	3	112.1230	2.646	3	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:4:1:	N[6a]-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:H-1:	C(N[6a]C[6a]2)(CCCH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH)	C(CN[6a]HH)(CCHH)2(H)	C(N[6a]C[6a]2)(CCCH)(H)2	N[6a](C[6a]C[6a,6a]O)2(CCHH){3|C<3>}	C(CN[6a]HH)(CCHH)2(H)	114.8750	0.000	1	114.8750	0.000	1	114.8750	0.000	1	114.8750	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:1:1:	3:3:4:	4:4:4:4:	N[6a]-3:C-4:H-1:H-1:	C[6,6a]-3:C[6a]-3:C-4:	C-4:C-4:C-4:C-4:	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH)	C(CN[6a]HH)(CH3)3	C(N[6a]C[6,6a]C[6a])(CC3)(H)2	N[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(CCHH){1|Br<1>,1|C<3>,2|C<4>,2|H<1>}	C(CN[6a]HH)(CH3)3	115.8490	0.000	1	115.8490	0.000	1	115.8490	0.000	1	115.8490	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:2:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:C-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CC)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(CC[6a]HH)(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CCHH)(CC)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|N<3>}	C(CC[6a]HH)(CN[6a]CH)(H)2	111.4010	0.000	1	111.4010	0.000	1	111.4010	0.000	1	111.6420	0.116	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:2:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:I-1:	C(N[6a]C[6a]2)(CCHI)(OC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO)	C(CN[6a]HO)(CHHN)(H)(I)	C(N[6a]C[6a]2)(CCHI)(OC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHO){1|C<3>,2|H<1>}	C(CN[6a]HO)(CHHN)(H)(I)	111.8830	0.000	1	111.8830	0.000	1	111.8830	0.000	1	111.6420	0.116	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:2:1:	3:3:4:	4:4:2:1:	N[6a]-3:C-4:S-2:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:O-2:H-1:	C(N[6a]C[6a]2)(CCHO)(SC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS)	C(CN[6a]HS)(CCCH)(OSi)(H)	C(N[6a]C[6a]2)(CCHO)(SC)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCHS){1|C<3>,2|H<1>}	C(CN[6a]HS)(CCCH)(OSi)(H)	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:3:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[5a]-3:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CC[5a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(C[5a]C[5a]N[5a])(CN[6a]CH)(H)2	111.6620	0.277	2	111.6620	0.077	2	111.6620	0.077	2	111.7395	0.034	4	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:3:1:	3:3:4:	3:4:1:1:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(C[6a]C[6a]2)(CN[6a]CH)(H)2	C(N[6a]C[6a]2)(CC[6a]HH)(COO)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(C[6a]C[6a]2)(CN[6a]CH)(H)2	111.8170	0.048	2	111.8170	0.002	2	111.8170	0.002	2	111.7395	0.034	4	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:3:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a]H)(CCCH){1|H<1>,2|C<3>}	C(CN[6a]CH)(H)3	111.4880	0.000	1	111.4880	0.000	1	112.2790	1.251	2	112.2790	1.251	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:3:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)(COO)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|Br<1>,1|C<3>,1|H<1>}	C(CN[6a]CH)(H)3	113.0700	0.000	1	113.0700	0.000	1	112.2790	1.251	2	112.2790	1.251	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:3:1:	3:3:4:	4:2:1:1:	N[6a]-3:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH)	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]2)(CHHO)(CCH)(H)	N[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(CCCH){1|C<3>,2|H<1>}	C(CN[6a]CH)(OH)(H)2	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	110.7610	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:2:4:	4:2:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:O-2:H-1:H-1:	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH)	C(CN[6a]CH)(OH)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH){2|C<3>}	C(CN[6a]CH)(OH)(H)2	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	110.4230	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:2:4:	4:4:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH)	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]N[6a])(CCHH)(CHHO)(H)	N[6a](C[6a]C[6a,6a]O)(N[6a]N[6a])(CCCH){2|C<3>}	C(CN[6a]CH)(CH3)(H)2	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	111.1800	0.000	1	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(CN[6a]CH)(H)3	110.4175	0.421	2	110.4175	0.177	2	111.5813	1.458	46	111.5813	1.458	46	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]CH)(H)3	110.9780	0.846	2	110.9780	0.715	2	111.5813	1.458	46	111.5813	1.458	46	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]N[6])(CCCH){1|C<3>,1|O<2>,2|C<4>}	C(CN[6a]CH)(H)3	111.4535	0.374	2	111.4535	0.140	2	111.5813	1.458	46	111.5813	1.458	46	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|N<2>}	C(CN[6a]CH)(H)3	111.8595	0.722	8	112.3565	1.278	16	111.5813	1.458	46	111.5813	1.458	46	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){1|C<3>,1|O<2>}	C(CN[6a]CH)(H)3	112.1685	1.066	2	112.3565	1.278	16	111.5813	1.458	46	111.5813	1.458	46	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[5a,6a]O)(C[6a]N[6a]O)(CCCH){2|C<3>}	C(CN[6a]CH)(H)3	113.0818	1.355	6	112.3565	1.278	16	111.5813	1.458	46	111.5813	1.458	46	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]N)(CCCH){2|C<3>}	C(CN[6a]CH)(H)3	112.0452	1.246	4	112.0452	1.552	4	111.5813	1.458	46	111.5813	1.458	46	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(CCCH){1|C<3>,1|H<1>,1|O<2>}	C(CN[6a]CH)(H)3	110.4205	1.163	6	110.4205	1.351	6	111.5813	1.458	46	111.5813	1.458	46	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]O)(CCCH){2|C<4>,3|C<3>}	C(CN[6a]CH)(H)3	111.3353	0.866	12	111.3353	0.750	12	111.5813	1.458	46	111.5813	1.458	46	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH)	C(CN[6a]CH)(H)3	C(N[6a]C[6a]2)(CH3)2(H)	N[6a](C[6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(CCCH){1|S<2>,3|C<3>}	C(CN[6a]CH)(H)3	111.3040	1.681	2	111.3040	2.827	2	111.5813	1.458	46	111.5813	1.458	46	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(CN[6a]CH)(CCHH)(H)2	112.3245	0.228	2	112.3245	0.052	2	111.4514	1.393	34	111.4514	1.393	34	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH)	C(CN[6a]CH)(CBrHH)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)(H)	N[6a](C[6a]C[6a]H)(C[6a]N[6a]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C(CN[6a]CH)(CBrHH)(H)2	110.5540	1.566	2	110.5540	2.451	2	111.4514	1.393	34	111.4514	1.393	34	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH)	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]H)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	C(CN[6a]CH)(CH3)(H)2	110.7155	0.618	4	110.7155	0.382	4	111.4514	1.393	34	111.4514	1.393	34	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH)	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]O)(C[6a]C[6a,6a]S)(CCCH){3|C<3>}	C(CN[6a]CH)(CH3)(H)2	111.6122	1.080	6	111.6122	1.167	6	111.4514	1.393	34	111.4514	1.393	34	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(CN[6a]CH)(CCHH)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(CN[6a]CH)(CCHH)(H)2	111.2250	1.537	12	111.2250	2.364	12	111.4514	1.393	34	111.4514	1.393	34	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:1:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH)	C(CN[6a]CH)(CH3)(H)2	C(N[6a]C[6a]2)(CCHH)2(H)	N[6a](C[6a]C[6a,6a]O)2(CCCH){3|C<3>}	C(CN[6a]CH)(CH3)(H)2	112.0446	0.479	8	112.0446	0.229	8	111.4514	1.393	34	111.4514	1.393	34	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:3:	3:2:4:	4:1:1:1:	N[6a]-3:C-4:C-4:C-3:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3)	C(CN[6a]CC)(H)3	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	N[6a](C[6a]C[6a]O)(N[6a]C[6a])(CC3){1|C<3>,1|N<2>,1|O<2>}	C(CN[6a]CC)(H)3	109.1030	0.023	2	109.1030	0.001	2	109.1030	0.001	2	109.1030	0.001	2	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:4:	3:2:4:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:N[6a]-2:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]N[6a])(CH3)3	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3)	C(CN[6a]CC)(H)3	C(N[6a]C[6a]N[6a])(CH3)3	N[6a](C[6a]C[6a,6a]O)(N[6a]C[6a])(CC3){1|O<2>,2|C<3>}	C(CN[6a]CC)(H)3	109.2857	0.269	3	109.2857	0.072	3	109.2857	0.072	3	109.2857	0.072	3	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	B[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]B[6a]C[6a])(CH3)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C(CN[6a]CC)(H)3	C(N[6a]B[6a]C[6a])(CH3)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<2>,1|H<1>,3|C<3>}	C(CN[6a]CC)(H)3	110.6442	1.970	6	110.7217	4.825	9	110.4321	3.147	15	110.1920	3.676	37	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	B[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]B[6a]C[6a])(CH3)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3)	C(CN[6a]CC)(H)3	C(N[6a]B[6a]C[6a])(CH3)3	N[6a](B[6a]C[6a]2)(C[6a]C[6a]C)(CC3){1|C<4>,1|H<1>,3|C<3>}	C(CN[6a]CC)(H)3	110.8767	3.089	3	110.7217	4.825	9	110.4321	3.147	15	110.1920	3.676	37	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	B[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]B[6a]C[6a])(CH3)3	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3)	C(CN[6a]CC)(H)3	C(N[6a]B[6a]C[6a])(CH3)3	N[6a](B[6a]C[6a]N)(C[6a]C[6a]H)(CC3){1|C<3>,2|H<1>}	C(CN[6a]CC)(H)3	109.9977	0.844	6	109.9977	0.713	6	110.4321	3.147	15	110.1920	3.676	37	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CH3)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CCHH)(CH3)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	C(CN[6a]CC)(H)3	109.4207	3.256	4	109.4207	10.604	4	110.0283	4.134	22	110.1920	3.676	37	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CH3)3	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	C(CN[6a]CC)(H)3	109.3423	0.487	3	109.3423	0.237	3	110.0283	4.134	22	110.1920	3.676	37	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)3	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3)	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CH3)3	N[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(CC3){1|B<3>,2|C<3>,2|H<1>}	C(CN[6a]CC)(H)3	110.3581	1.893	12	110.3581	3.585	12	110.0283	4.134	22	110.1920	3.676	37	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:4:	3:3:4:	4:1:1:1:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:H-1:H-1:H-1:	C(N[6a]C[6a]2)(CH3)3	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3)	C(CN[6a]CC)(H)3	C(N[6a]C[6a]2)(CH3)3	N[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(CC3){1|Fe<10>,1|B<3>,2|C<4>,2|H<1>}	C(CN[6a]CC)(H)3	110.2053	2.325	3	110.2053	5.407	3	110.0283	4.134	22	110.1920	3.676	37	112.0299	2.048	584	112.0299	2.048	584
490	217	490	0:SP3_SP2_SP3	C	N[6a]	C	3:4:4:4:	3:3:4:	4:4:1:1:	N[6a]-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:C-4:	C-4:C-4:H-1:H-1:	C(N[6a]C[6a]2)(CCHH)(CH3)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3)	C(CN[6a]CC)(CC3)(H)2	C(N[6a]C[6a]2)(CCHH)(CH3)2	N[6a](C[6a]C[6a,6a]O)(C[6a]N[6a]O)(CC3){1|H<1>,2|C<3>}	C(CN[6a]CC)(CC3)(H)2	112.5205	0.590	2	112.5205	0.349	2	112.5205	0.349	2	112.5205	0.349	2	112.0299	2.048	584	112.0299	2.048	584